2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol

C11H19F3O — CID 66467695

IUPAC2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol
SMILESCCCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-2-3-8-4-6-9(7-5-8)10(15)11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyZXANAZLFCHRBCH-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.52
Rot. Bonds3

About 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol

2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol (PubChem CID 66467695) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol
PubChem CID66467695
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol
SMILESCCCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-2-3-8-4-6-9(7-5-8)10(15)11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyZXANAZLFCHRBCH-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol (CID 66467695) is 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol is CCCC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol?
The InChIKey is ZXANAZLFCHRBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-2-3-8-4-6-9(7-5-8)10(15)11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol?
2,2,2-trifluoro-1-(4-propylcyclohexyl)ethanol has a molecular weight of 224.27 g/mol, XLogP of 3.52, 3 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-propylcyclohexyl)ethanol is sourced from PubChem (CID 66467695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).