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

C15H18F4O — CID 107288500

IUPAC(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
SMILESCCC1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F4O/c1-2-9-3-4-10(7-9)14(20)11-5-6-13(16)12(8-11)15(17,18)19/h5-6,8-10,14,20H,2-4,7H2,1H3
InChIKeyRDVVFDDZTHFUBU-UHFFFAOYSA-N
MW290.30 g/mol
LogP4.70
Rot. Bonds3

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

(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol (PubChem CID 107288500) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
PubChem CID107288500
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
SMILESCCC1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F4O/c1-2-9-3-4-10(7-9)14(20)11-5-6-13(16)12(8-11)15(17,18)19/h5-6,8-10,14,20H,2-4,7H2,1H3
InChIKeyRDVVFDDZTHFUBU-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107289041
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4,4-trimethylpentan-1-ol
CID 107292150
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol (CID 107288500) is (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol is CCC1CCC(C(O)c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is RDVVFDDZTHFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-2-9-3-4-10(7-9)14(20)11-5-6-13(16)12(8-11)15(17,18)19/h5-6,8-10,14,20H,2-4,7H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 290.30 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107288500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).