1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone

C8H3ClF4O — CID 130512059

IUPAC1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1c(Cl)ccc(F)c1F)C(F)F
InChIInChI=1S/C8H3ClF4O/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13/h1-2,8H
InChIKeyZXARGCSLFHFNLO-UHFFFAOYSA-N
MW226.56 g/mol
LogP3.07
Rot. Bonds2

About 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone

1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone (PubChem CID 130512059) has the molecular formula C8H3ClF4O and a molecular weight of 226.56 g/mol. Its IUPAC name is 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone
PubChem CID130512059
Molecular FormulaC8H3ClF4O
Molecular Weight226.56 g/mol
Exact Mass225.98
IUPAC Name1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1c(Cl)ccc(F)c1F)C(F)F
InChIInChI=1S/C8H3ClF4O/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13/h1-2,8H
InChIKeyZXARGCSLFHFNLO-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-2-fluoro-3-methylphenyl)-2,2-difluoroethanone
CID 164894845
1-(6-chloro-2-fluoro-3-methylsulfanylphenyl)-2,2-difluoroethanone
CID 171366434
6-chloro-2,3-difluorobenzoyl chloride
CID 50998364
7-amino-1-(6-chloro-2,3-difluorophenyl)heptan-1-one
CID 114275318
(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
CID 114275342
1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone
CID 107475870
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
sodium 2,6-dichloro-3-fluorobenzoate
CID 171476400
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
methyl 6-(difluoromethyl)-2,3-difluorobenzoate
CID 134648361
2,2-dichloro-1-(2-chloro-3,4-difluorophenyl)ethanone
CID 86166691

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone (CID 130512059) is 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone is O=C(c1c(Cl)ccc(F)c1F)C(F)F.
What is the InChIKey of 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone?
The InChIKey is ZXARGCSLFHFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF4O/c9-3-1-2-4(10)6(11)5(3)7(14)8(12)13/h1-2,8H.
What are the key properties of 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone?
1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone has a molecular weight of 226.56 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-difluorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 130512059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).