Heptadecafluoro-1-iodooctane

• CAS: 507-63-1
• Catalog Number: ACM507631
• Category: Alkyl
• Molecular Weight: 545.96g/mol
• Molecular Formula: C8F17I
• Description: Liquid
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
• SMILES: C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
• InChI Key: KWXGJTSJUKTDQU-UHFFFAOYSA-N
• Boiling Point: 160.5 °C
• Melting Point: 20.8 °C
• Complexity: 527
• Covalently-Bonded Unit Count: 1
• EC Number: 208-079-5
• Exact Mass: 545.87733g/mol
• Formal Charge: 0
• Hazard Statements: H226
• H-Bond Acceptor: 17
• H-Bond Donor: 0
• Heavy Atom Count: 26
• Monoisotopic Mass: 545.87733g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 6
• Symbol: GHS02
• UNII: 072985Y799
• XLogP3: 6.8

Custom Q&A

What is the molecular formula of Heptadecafluoro-1-iodooctane?

The molecular formula is C8F17I.

What is the molecular weight of Heptadecafluoro-1-iodooctane?

The molecular weight is 545.96 g/mol.

What is the IUPAC name of Heptadecafluoro-1-iodooctane?

The IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane.

What is the InChI of Heptadecafluoro-1-iodooctane?

The InChI is InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26.

What is the InChIKey of Heptadecafluoro-1-iodooctane?

The InChIKey is KWXGJTSJUKTDQU-UHFFFAOYSA-N.

What is the canonical SMILES of Heptadecafluoro-1-iodooctane?

The canonical SMILES is C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.

What is the CAS number of Heptadecafluoro-1-iodooctane?

The CAS number is 507-63-1.

What is the European Community (EC) number of Heptadecafluoro-1-iodooctane?

The European Community (EC) number is 208-079-5.

How many hydrogen bond acceptor count does Heptadecafluoro-1-iodooctane have?

Heptadecafluoro-1-iodooctane has 17 hydrogen bond acceptor count.

What is the topological polar surface area of Heptadecafluoro-1-iodooctane?

The topological polar surface area is 0Ų.