1,1,3-trifluoro-1-phenylpropan-2-one

C9H7F3O — CID 175143665

IUPAC1,1,3-trifluoro-1-phenylpropan-2-one
SMILESO=C(CF)C(F)(F)c1ccccc1
InChIInChI=1S/C9H7F3O/c10-6-8(13)9(11,12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyWLCMSGITCBBTGX-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.32
Rot. Bonds3

About 1,1,3-trifluoro-1-phenylpropan-2-one

1,1,3-trifluoro-1-phenylpropan-2-one (PubChem CID 175143665) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 1,1,3-trifluoro-1-phenylpropan-2-one.

Molecular Properties

Compound Name1,1,3-trifluoro-1-phenylpropan-2-one
PubChem CID175143665
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name1,1,3-trifluoro-1-phenylpropan-2-one
SMILESO=C(CF)C(F)(F)c1ccccc1
InChIInChI=1S/C9H7F3O/c10-6-8(13)9(11,12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyWLCMSGITCBBTGX-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,3-trifluoro-1-phenylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
1,3,3-trifluoro-5-phenylpentane-2,4-dione
CID 88513079
benzyl 2,2,4-trifluoro-3-oxobutanoate
CID 87975459
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
3,4,4,4-tetrafluoro-3-phenylbutanoic acid
CID 84736567
3-amino-3-fluoro-3-phenylpropanoic acid
CID 70119965
4-ethyl-4-phenylhexan-3-one
CID 63083231
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
CID 70349078
4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-1-phenylpropan-2-one?
The IUPAC name of 1,1,3-trifluoro-1-phenylpropan-2-one (CID 175143665) is 1,1,3-trifluoro-1-phenylpropan-2-one.
What is the SMILES notation for 1,1,3-trifluoro-1-phenylpropan-2-one?
The canonical SMILES for 1,1,3-trifluoro-1-phenylpropan-2-one is O=C(CF)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1,3-trifluoro-1-phenylpropan-2-one?
The InChIKey is WLCMSGITCBBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c10-6-8(13)9(11,12)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1,1,3-trifluoro-1-phenylpropan-2-one?
1,1,3-trifluoro-1-phenylpropan-2-one has a molecular weight of 188.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-1-phenylpropan-2-one is sourced from PubChem (CID 175143665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).