1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone

C9H7ClF2O — CID 91658550

IUPAC1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
SMILESCc1cc(C(=O)C(F)F)ccc1Cl
InChIInChI=1S/C9H7ClF2O/c1-5-4-6(2-3-7(5)10)8(13)9(11)12/h2-4,9H,1H3
InChIKeyRYOAUWTTZKUFMT-UHFFFAOYSA-N
MW204.60 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone

1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone (PubChem CID 91658550) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
PubChem CID91658550
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
SMILESCc1cc(C(=O)C(F)F)ccc1Cl
InChIInChI=1S/C9H7ClF2O/c1-5-4-6(2-3-7(5)10)8(13)9(11)12/h2-4,9H,1H3
InChIKeyRYOAUWTTZKUFMT-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-2,2-difluoroethanone
CID 91658558
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-(4-chloro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 112698739
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
1-(6-chloro-2-fluoro-3-methylphenyl)-2,2-difluoroethanone
CID 164894845
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
CID 91636257
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
1-(3,5-dimethylphenyl)-2,2-difluoroethanone
CID 91636254

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone (CID 91658550) is 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone is Cc1cc(C(=O)C(F)F)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone?
The InChIKey is RYOAUWTTZKUFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c1-5-4-6(2-3-7(5)10)8(13)9(11)12/h2-4,9H,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone?
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone has a molecular weight of 204.60 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 91658550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).