2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol

C14H16F4O — CID 115351165

IUPAC2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1CCCC1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F4O/c15-12-7-10(6-11(8-12)14(16,17)18)13(19)5-9-3-1-2-4-9/h6-9,13,19H,1-5H2
InChIKeyGTMYUAQSRIRWPG-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.46
Rot. Bonds3

About 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol

2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 115351165) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
PubChem CID115351165
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1CCCC1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F4O/c15-12-7-10(6-11(8-12)14(16,17)18)13(19)5-9-3-1-2-4-9/h6-9,13,19H,1-5H2
InChIKeyGTMYUAQSRIRWPG-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(1R,2S)-2-amino-1-cyclohexyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171268935
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
CID 107135674
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
2-cyclohexyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502817

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol (CID 115351165) is 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol is OC(CC1CCCC1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GTMYUAQSRIRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c15-12-7-10(6-11(8-12)14(16,17)18)13(19)5-9-3-1-2-4-9/h6-9,13,19H,1-5H2.
What are the key properties of 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 276.27 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115351165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).