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Structure

3-(2-Fluorophenoxy)pyrrolidine

CAS
946681-67-0
Catalog Number
ACM946681670
Category
Other Products
Molecular Weight
181.206783 [g/mol]
Molecular Formula
C10H12FNO

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Specification

Synonyms
3-(2-FLUOROPHENOXY)PYRROLIDINE, CTK7C2585, MolPort-002-053-857, AKOS005263854, AG-A-50398, BB 0259702, 946681-67-0
IUPAC Name
3-(2-fluorophenoxy)pyrrolidine
Canonical SMILES
C1CNCC1OC2=CC=CC=C2F
InChI Key
VBCSXAGXHQORMV-UHFFFAOYSA-N
Exact Mass
181.09000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24902289?

The molecular formula is C10H12FNO.

What is the molecular weight of the compound?

The molecular weight is 181.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-(2-fluorophenoxy)pyrrolidine.

What is the InChIKey of the compound?

The InChIKey is VBCSXAGXHQORMV-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.8.

What is the topological polar surface area of the compound?

The topological polar surface area is 21.3 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was the compound created and last modified?

The compound was created on September 25, 2008, and last modified on December 30, 2023.

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