1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one

C13H13F3O2 — CID 103455718

IUPAC1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)C(O)C1CC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-3-1-2-8(6-10)7-11(17)12(18)9-4-5-9/h1-3,6,9,12,18H,4-5,7H2
InChIKeyWOYSPEDAZINDEC-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.59
Rot. Bonds4

About 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 103455718) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID103455718
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)C(O)C1CC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-3-1-2-8(6-10)7-11(17)12(18)9-4-5-9/h1-3,6,9,12,18H,4-5,7H2
InChIKeyWOYSPEDAZINDEC-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62697267
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3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
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1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
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CID 35272557

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 103455718) is 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one is O=C(Cc1cccc(C(F)(F)F)c1)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is WOYSPEDAZINDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)10-3-1-2-8(6-10)7-11(17)12(18)9-4-5-9/h1-3,6,9,12,18H,4-5,7H2.
What are the key properties of 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 258.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 103455718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).