1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

C15H19F3O2 — CID 115787261

IUPAC1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESOC(Cc1ccc(OC(F)(F)F)cc1)CC1CCCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)20-14-7-5-12(6-8-14)10-13(19)9-11-3-1-2-4-11/h5-8,11,13,19H,1-4,9-10H2
InChIKeyLAAWYELSOXIKGA-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.07
Rot. Bonds5

About 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 115787261) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID115787261
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESOC(Cc1ccc(OC(F)(F)F)cc1)CC1CCCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)20-14-7-5-12(6-8-14)10-13(19)9-11-3-1-2-4-11/h5-8,11,13,19H,1-4,9-10H2
InChIKeyLAAWYELSOXIKGA-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 103560075
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (CID 115787261) is 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is OC(Cc1ccc(OC(F)(F)F)cc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is LAAWYELSOXIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c16-15(17,18)20-14-7-5-12(6-8-14)10-13(19)9-11-3-1-2-4-11/h5-8,11,13,19H,1-4,9-10H2.
What are the key properties of 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 288.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 115787261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).