1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone

C8H3ClF4O — CID 107475870

IUPAC1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1cc(F)c(F)cc1Cl)C(F)F
InChIInChI=1S/C8H3ClF4O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H
InChIKeyHWCCFOOSHXEQOA-UHFFFAOYSA-N
MW226.56 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone

1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone (PubChem CID 107475870) has the molecular formula C8H3ClF4O and a molecular weight of 226.56 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone
PubChem CID107475870
Molecular FormulaC8H3ClF4O
Molecular Weight226.56 g/mol
Exact Mass225.98
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1cc(F)c(F)cc1Cl)C(F)F
InChIInChI=1S/C8H3ClF4O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H
InChIKeyHWCCFOOSHXEQOA-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

3-bromo-4-(2-chloro-4,5-difluorophenyl)-4-oxobutanoic acid
CID 107475874
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
1-(2-bromo-5-chloro-4-pyridinyl)-2,2-difluoroethanone
CID 171367557
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
4-chloro-5-(2,3-dimethylbutanoyl)-2-fluorobenzoic acid
CID 139689216
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 107475730
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone (CID 107475870) is 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone is O=C(c1cc(F)c(F)cc1Cl)C(F)F.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone?
The InChIKey is HWCCFOOSHXEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF4O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone?
1-(2-chloro-4,5-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-(2-chloro-4,5-difluorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 107475870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).