(2-chloro-3,3-difluoroprop-1-enyl)benzene

C9H7ClF2 — CID 175913510

IUPAC(2-chloro-3,3-difluoroprop-1-enyl)benzene
SMILESFC(F)C(Cl)=Cc1ccccc1
InChIInChI=1S/C9H7ClF2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,9H
InChIKeyPKESAUWDGOJLHJ-UHFFFAOYSA-N
MW188.60 g/mol
LogP3.53
Rot. Bonds2

About (2-chloro-3,3-difluoroprop-1-enyl)benzene

(2-chloro-3,3-difluoroprop-1-enyl)benzene (PubChem CID 175913510) has the molecular formula C9H7ClF2 and a molecular weight of 188.60 g/mol. Its IUPAC name is (2-chloro-3,3-difluoroprop-1-enyl)benzene.

Molecular Properties

Compound Name(2-chloro-3,3-difluoroprop-1-enyl)benzene
PubChem CID175913510
Molecular FormulaC9H7ClF2
Molecular Weight188.60 g/mol
Exact Mass188.02
IUPAC Name(2-chloro-3,3-difluoroprop-1-enyl)benzene
SMILESFC(F)C(Cl)=Cc1ccccc1
InChIInChI=1S/C9H7ClF2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,9H
InChIKeyPKESAUWDGOJLHJ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.60
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,3-difluoroprop-1-enyl)benzene?
The IUPAC name of (2-chloro-3,3-difluoroprop-1-enyl)benzene (CID 175913510) is (2-chloro-3,3-difluoroprop-1-enyl)benzene.
What is the SMILES notation for (2-chloro-3,3-difluoroprop-1-enyl)benzene?
The canonical SMILES for (2-chloro-3,3-difluoroprop-1-enyl)benzene is FC(F)C(Cl)=Cc1ccccc1.
What is the InChIKey of (2-chloro-3,3-difluoroprop-1-enyl)benzene?
The InChIKey is PKESAUWDGOJLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,9H.
What are the key properties of (2-chloro-3,3-difluoroprop-1-enyl)benzene?
(2-chloro-3,3-difluoroprop-1-enyl)benzene has a molecular weight of 188.60 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,3-difluoroprop-1-enyl)benzene is sourced from PubChem (CID 175913510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).