2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

C13H17F3O2 — CID 105122947

IUPAC2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1ccco1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)10-4-1-3-9(7-10)12(17)8-11-5-2-6-18-11/h2,5-6,9-10,12,17H,1,3-4,7-8H2
InChIKeyUYBFQSQUEAASAQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.55
Rot. Bonds3

About 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105122947) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105122947
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1ccco1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3O2/c14-13(15,16)10-4-1-3-9(7-10)12(17)8-11-5-2-6-18-11/h2,5-6,9-10,12,17H,1,3-4,7-8H2
InChIKeyUYBFQSQUEAASAQ-UHFFFAOYSA-N
XLogP3.55
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164662141
3-(furan-2-yl)-1-(3-methylcyclohexyl)propan-1-ol
CID 105104266
2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanol
CID 115830123
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105082718
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054165
(1S,3R)-1-(furan-2-yl)-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 129430023
1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
CID 112742811
trans-(1R,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429823
cis-(1S,3R)-N-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429824
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 110054148
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 100643068
4-cyclohexyl-1-(furan-2-yl)butan-2-ol
CID 115830128

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 105122947) is 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1ccco1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is UYBFQSQUEAASAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c14-13(15,16)10-4-1-3-9(7-10)12(17)8-11-5-2-6-18-11/h2,5-6,9-10,12,17H,1,3-4,7-8H2.
What are the key properties of 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 262.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105122947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).