2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol

C11H19F3O — CID 66467917

IUPAC2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h7-10,15H,3-6H2,1-2H3
InChIKeyPOOXWZFVHXDYFV-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.37
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol

2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 66467917) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID66467917
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h7-10,15H,3-6H2,1-2H3
InChIKeyPOOXWZFVHXDYFV-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Menthol
CID 1254
(-)-Menthol
CID 16666
(+)-Menthol
CID 165675
Neoisomenthol
CID 19244
Isomenthol, (+)-
CID 45056
(-)-Neomenthol
CID 6566020
(+)-Neomenthol
CID 439263
(+-)-Neoisomenthol
CID 1715097
Isomenthol
CID 6432468
p-Menthan-7-ol
CID 83763
(1R,2S,5R)-(-)-Menthol-d4
CID 154825536
2-Methyl-5-(propan-2-yl)cyclohexan-1-ol
CID 86850

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol (CID 66467917) is 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol is CC(C)C1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is POOXWZFVHXDYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h7-10,15H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol?
2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 224.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 66467917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).