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

C10H9F3O2 — CID 10082090

IUPAC2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(O)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-6(14)9(15)7-2-4-8(5-3-7)10(11,12)13/h2-6,14H,1H3
InChIKeySRSKNTMIVINURP-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.27
Rot. Bonds2

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

2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 10082090) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID10082090
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(O)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-6(14)9(15)7-2-4-8(5-3-7)10(11,12)13/h2-6,14H,1H3
InChIKeySRSKNTMIVINURP-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 53430718
2-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 114970666
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
2-bromo-2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
CID 155932133
ethyl 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 129319443
2-(triazol-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 70350915
1-hydroxy-2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethanesulfonic acid
CID 13376815
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 10082090) is 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one is CC(O)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is SRSKNTMIVINURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-6(14)9(15)7-2-4-8(5-3-7)10(11,12)13/h2-6,14H,1H3.
What are the key properties of 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one?
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 218.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 10082090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).