1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one

C10H8F4O — CID 117115013

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c1-6(15)4-7-2-3-8(11)5-9(7)10(12,13)14/h2-3,5H,4H2,1H3
InChIKeyBNTDWWSIBFUJRY-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.98
Rot. Bonds2

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one

1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 117115013) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID117115013
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c1-6(15)4-7-2-3-8(11)5-9(7)10(12,13)14/h2-3,5H,4H2,1H3
InChIKeyBNTDWWSIBFUJRY-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-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

3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 60557602
2-[5-fluoro-2-(2-oxopropyl)phenyl]acetamide
CID 174850108
1-(5-fluoro-2-iodophenyl)propan-2-one
CID 118852730
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111044992
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
1-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]propan-2-one
CID 117478323

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one (CID 117115013) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one is CC(=O)Cc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is BNTDWWSIBFUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-6(15)4-7-2-3-8(11)5-9(7)10(12,13)14/h2-3,5H,4H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one?
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 220.16 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 117115013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).