1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone

C13H7ClF3NO — CID 71143728

IUPAC1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone
SMILESO=C(c1ccc(Cl)cc1F)C(F)(F)c1ccccn1
InChIInChI=1S/C13H7ClF3NO/c14-8-4-5-9(10(15)7-8)12(19)13(16,17)11-3-1-2-6-18-11/h1-7H
InChIKeyITAWVPSAPUIRDB-UHFFFAOYSA-N
MW285.65 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone

1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone (PubChem CID 71143728) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone
PubChem CID71143728
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone
SMILESO=C(c1ccc(Cl)cc1F)C(F)(F)c1ccccn1
InChIInChI=1S/C13H7ClF3NO/c14-8-4-5-9(10(15)7-8)12(19)13(16,17)11-3-1-2-6-18-11/h1-7H
InChIKeyITAWVPSAPUIRDB-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone (CID 71143728) is 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone is O=C(c1ccc(Cl)cc1F)C(F)(F)c1ccccn1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone?
The InChIKey is ITAWVPSAPUIRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-8-4-5-9(10(15)7-8)12(19)13(16,17)11-3-1-2-6-18-11/h1-7H.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone?
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone has a molecular weight of 285.65 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone is sourced from PubChem (CID 71143728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).