4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol

C9H15F3O — CID 79423179

IUPAC4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol
SMILESCC1CCC(O)C(CC(F)(F)F)C1
InChIInChI=1S/C9H15F3O/c1-6-2-3-8(13)7(4-6)5-9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyKOZOSUBFYYGLSF-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.74
Rot. Bonds1

About 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol

4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol (PubChem CID 79423179) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol
PubChem CID79423179
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol
SMILESCC1CCC(O)C(CC(F)(F)F)C1
InChIInChI=1S/C9H15F3O/c1-6-2-3-8(13)7(4-6)5-9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyKOZOSUBFYYGLSF-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol (CID 79423179) is 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol is CC1CCC(O)C(CC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The InChIKey is KOZOSUBFYYGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-6-2-3-8(13)7(4-6)5-9(10,11)12/h6-8,13H,2-5H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 79423179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).