1-(3,5-dimethylphenyl)-2,2-difluoroethanone

C10H10F2O — CID 91636254

IUPAC1-(3,5-dimethylphenyl)-2,2-difluoroethanone
SMILESCc1cc(C)cc(C(=O)C(F)F)c1
InChIInChI=1S/C10H10F2O/c1-6-3-7(2)5-8(4-6)9(13)10(11)12/h3-5,10H,1-2H3
InChIKeyCZIJSTNHPCYFDG-UHFFFAOYSA-N
MW184.18 g/mol
LogP2.75
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-2,2-difluoroethanone

1-(3,5-dimethylphenyl)-2,2-difluoroethanone (PubChem CID 91636254) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2,2-difluoroethanone
PubChem CID91636254
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name1-(3,5-dimethylphenyl)-2,2-difluoroethanone
SMILESCc1cc(C)cc(C(=O)C(F)F)c1
InChIInChI=1S/C10H10F2O/c1-6-3-7(2)5-8(4-6)9(13)10(11)12/h3-5,10H,1-2H3
InChIKeyCZIJSTNHPCYFDG-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
1-(3,5-difluorophenyl)-2,2-difluoroethanone
CID 91636131
bis(3,5-dimethylphenyl)methanone
CID 15640171
1-(3,5-dimethylphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458340
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
CID 91658550
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanone
CID 91658558
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone
CID 2758667
2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
CID 126972003
1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
CID 79705089
(3,5-dimethylbenzoyl) 3,5-dimethylbenzoate
CID 11780991
2-bromo-1-(3,5-dimethylphenyl)-2-(2,6-dimethyl-4-pyridinyl)ethanone
CID 22282279

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(3,5-dimethylphenyl)-2,2-difluoroethanone (CID 91636254) is 1-(3,5-dimethylphenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2,2-difluoroethanone is Cc1cc(C)cc(C(=O)C(F)F)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2,2-difluoroethanone?
The InChIKey is CZIJSTNHPCYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-6-3-7(2)5-8(4-6)9(13)10(11)12/h3-5,10H,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2,2-difluoroethanone?
1-(3,5-dimethylphenyl)-2,2-difluoroethanone has a molecular weight of 184.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2,2-difluoroethanone is sourced from PubChem (CID 91636254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).