[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol

C14H16F4O — CID 107288498

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F4O/c1-8-2-3-9(6-8)13(19)10-4-5-12(15)11(7-10)14(16,17)18/h4-5,7-9,13,19H,2-3,6H2,1H3
InChIKeyYHSJKSLETBEQJB-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.31
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol

[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol (PubChem CID 107288498) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
PubChem CID107288498
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F4O/c1-8-2-3-9(6-8)13(19)10-4-5-12(15)11(7-10)14(16,17)18/h4-5,7-9,13,19H,2-3,6H2,1H3
InChIKeyYHSJKSLETBEQJB-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288500
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107289041
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
(3-methylcyclopentyl)-quinolin-7-ylmethanol
CID 81220222

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol (CID 107288498) is [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol is CC1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol?
The InChIKey is YHSJKSLETBEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c1-8-2-3-9(6-8)13(19)10-4-5-12(15)11(7-10)14(16,17)18/h4-5,7-9,13,19H,2-3,6H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol?
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol has a molecular weight of 276.27 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol is sourced from PubChem (CID 107288498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).