1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one

C10H8F4O — CID 70064729

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F4O/c1-6(15)2-7-3-8(10(12,13)14)5-9(11)4-7/h3-5H,2H2,1H3
InChIKeyCKUCHIMWRJIMAI-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.98
Rot. Bonds2

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one

1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 70064729) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
PubChem CID70064729
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F4O/c1-6(15)2-7-3-8(10(12,13)14)5-9(11)4-7/h3-5H,2H2,1H3
InChIKeyCKUCHIMWRJIMAI-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

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Related Compounds

1-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]propan-2-one
CID 118832375
1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]propan-2-one;ethene
CID 142885636
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437
1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
CID 118804158
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
ethyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-oxobutanoate
CID 67404141
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
1-[3-chloro-5-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 138723380
1-(3-ethoxy-5-fluorophenyl)propan-2-one
CID 118813373

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one (CID 70064729) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one is CC(=O)Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is CKUCHIMWRJIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-6(15)2-7-3-8(10(12,13)14)5-9(11)4-7/h3-5H,2H2,1H3.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one?
1-[3-fluoro-5-(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-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 70064729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).