2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol

C10H14F6O — CID 172565004

IUPAC2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol
SMILESOCCC1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H14F6O/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h6-8,17H,1-5H2
InChIKeyNYDNVVMGWRRUHO-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.53
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol

2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 172565004) has the molecular formula C10H14F6O and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol
PubChem CID172565004
Molecular FormulaC10H14F6O
Molecular Weight264.21 g/mol
Exact Mass264.09
IUPAC Name2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol
SMILESOCCC1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H14F6O/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h6-8,17H,1-5H2
InChIKeyNYDNVVMGWRRUHO-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 27808394
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
2-(3-methylcyclobutyl)ethanol
CID 59157244
(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 142150919
1-propyl-3-(trifluoromethyl)cyclohexane
CID 142650129
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 89342976
2-(3-bicyclo[3.2.1]oct-6-enyl)ethanol
CID 13040771
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol
CID 171937168
2-(3-propan-2-ylcyclobutyl)ethanol
CID 70261378
2-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)ethanol
CID 171937165

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol (CID 172565004) is 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol is OCCC1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is NYDNVVMGWRRUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h6-8,17H,1-5H2.
What are the key properties of 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol?
2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 264.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 172565004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).