1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one

C10H9ClF2O2 — CID 131187635

IUPAC1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
SMILESCOc1cccc(Cl)c1C(=O)C(C)(F)F
InChIInChI=1S/C10H9ClF2O2/c1-10(12,13)9(14)8-6(11)4-3-5-7(8)15-2/h3-5H,1-2H3
InChIKeyWHIHEGYZYCFFLI-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one

1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one (PubChem CID 131187635) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
PubChem CID131187635
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
SMILESCOc1cccc(Cl)c1C(=O)C(C)(F)F
InChIInChI=1S/C10H9ClF2O2/c1-10(12,13)9(14)8-6(11)4-3-5-7(8)15-2/h3-5H,1-2H3
InChIKeyWHIHEGYZYCFFLI-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
2-amino-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116811573
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
CID 159993809
CID 159993809
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
1-(2-chloro-6-methoxyphenyl)-3-methyl-2-phenyl-3-phosphorosobutan-1-one
CID 18514476

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one (CID 131187635) is 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one is COc1cccc(Cl)c1C(=O)C(C)(F)F.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one?
The InChIKey is WHIHEGYZYCFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-10(12,13)9(14)8-6(11)4-3-5-7(8)15-2/h3-5H,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one?
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one has a molecular weight of 234.63 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 131187635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).