1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone

C10H9F3O — CID 70664342

IUPAC1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(F)(F)CF)c1
InChIInChI=1S/C10H9F3O/c1-7(14)8-3-2-4-9(5-8)10(12,13)6-11/h2-5H,6H2,1H3
InChIKeyDAIHTHUJXOVLIN-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.95
Rot. Bonds3

About 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone

1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone (PubChem CID 70664342) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone
PubChem CID70664342
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(F)(F)CF)c1
InChIInChI=1S/C10H9F3O/c1-7(14)8-3-2-4-9(5-8)10(12,13)6-11/h2-5H,6H2,1H3
InChIKeyDAIHTHUJXOVLIN-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
CID 141060662
3-(2-amino-1,1-difluoroethyl)benzoic acid
CID 154878474
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
4,4-difluoro-4-(3-methylphenyl)butan-2-one
CID 105451355
tert-butyl 3-[3-(3-acetylphenyl)-3,3-difluoropropyl]azetidine-1-carboxylate
CID 169313317
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
1-[3-(1,1-difluoroethyl)phenyl]propan-1-one
CID 162577233
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
3,3-difluoro-3-(3-methylphenyl)propanoic acid;ethane
CID 170751473

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone (CID 70664342) is 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone is CC(=O)c1cccc(C(F)(F)CF)c1.
What is the InChIKey of 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone?
The InChIKey is DAIHTHUJXOVLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-7(14)8-3-2-4-9(5-8)10(12,13)6-11/h2-5H,6H2,1H3.
What are the key properties of 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone?
1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone has a molecular weight of 202.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone is sourced from PubChem (CID 70664342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).