4,4'-Difluorobenzophenone

• CAS: 345-92-6
• Catalog Number: ACM345926
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 218.2g/mol
• Molecular Formula: C13H8F2O
• IUPAC Name: bis(4-fluorophenyl)methanone
• SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)F
• InChI: InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
• InChI Key: LSQARZALBDFYQZ-UHFFFAOYSA-N
• Melting Point: 103.5 °C
• Complexity: 214
• Covalently-Bonded Unit Count: 1
• EC Number: 206-466-3
• Exact Mass: 218.054321g/mol
• Formal Charge: 0
• Hazard Statements: H314
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 218.054321g/mol
• NSC Number: 51800
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS05
• UNII: 88BNC11B9C
• XLogP3: 3.8

Custom Q&A

What is the molecular formula of 4,4'-Difluorobenzophenone?

The molecular formula is C13H10F2O.

What is the molecular weight of 4,4'-Difluorobenzophenone?

The molecular weight is 220.21 g/mol.

What is the IUPAC name of 4,4'-Difluorobenzophenone?

The IUPAC name is (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenylmethanone.

What is the InChI of 4,4'-Difluorobenzophenone?

The InChI is InChI=1S/C13H10F2O/c14-13(15)8-6-11(7-9-13)12(16)10-4-2-1-3-5-10/h1-8H,9H2.

What is the InChIKey of 4,4'-Difluorobenzophenone?

The InChIKey is HKCNCNXZAZPKDZ-UHFFFAOYSA-N.

What is the Canonical SMILES of 4,4'-Difluorobenzophenone?

The Canonical SMILES is C1C=C(C=CC1(F)F)C(=O)C2=CC=CC=C2.

What is the CAS number of 4,4'-Difluorobenzophenone?

The CAS number is 887267-52-9.

What is the XLogP3-AA value of 4,4'-Difluorobenzophenone?

The XLogP3-AA value is 3.4.

How many hydrogen bond acceptors does 4,4'-Difluorobenzophenone have?

It has 3 hydrogen bond acceptors.

Is the compound canonicalized?

Yes, the compound is canonicalized.