2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol

C13H15F3O — CID 65146410

IUPAC2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H15F3O/c1-12(17,10-6-7-10)8-9-2-4-11(5-3-9)13(14,15)16/h2-5,10,17H,6-8H2,1H3
InChIKeyIBLYAAPTQRFBGK-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.41
Rot. Bonds3

About 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol

2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 65146410) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID65146410
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H15F3O/c1-12(17,10-6-7-10)8-9-2-4-11(5-3-9)13(14,15)16/h2-5,10,17H,6-8H2,1H3
InChIKeyIBLYAAPTQRFBGK-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
CID 65477048
2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83154745
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-(trifluoromethyl)benzene
CID 83150074
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833051
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90499492
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 65146410) is 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is IBLYAAPTQRFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-12(17,10-6-7-10)8-9-2-4-11(5-3-9)13(14,15)16/h2-5,10,17H,6-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 244.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 65146410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).