1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

C14H17F3O — CID 114276092

IUPAC1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCCC(O)(c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H17F3O/c1-2-9-13(18,10-7-8-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,10,18H,2,7-9H2,1H3
InChIKeyZNTOUZLPBRSUPB-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.10
Rot. Bonds4

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

1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 114276092) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID114276092
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCCC(O)(c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H17F3O/c1-2-9-13(18,10-7-8-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,10,18H,2,7-9H2,1H3
InChIKeyZNTOUZLPBRSUPB-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
CID 112679495
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-(2-chlorophenyl)butane-1,1-diol
CID 150424149
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 107512247
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
1-(methylamino)-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773966
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (CID 114276092) is 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is CCCC(O)(c1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is ZNTOUZLPBRSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-2-9-13(18,10-7-8-10)11-5-3-4-6-12(11)14(15,16)17/h3-6,10,18H,2,7-9H2,1H3.
What are the key properties of 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 258.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 114276092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).