2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol

C9H15F3O — CID 90213801

IUPAC2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CC(C(F)(F)F)CC(O)C1C
InChIInChI=1S/C9H15F3O/c1-5-3-7(9(10,11)12)4-8(13)6(5)2/h5-8,13H,3-4H2,1-2H3
InChIKeyJVNMEZYUMPXKLX-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.59
Rot. Bonds

About 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol

2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 90213801) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol
PubChem CID90213801
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CC(C(F)(F)F)CC(O)C1C
InChIInChI=1S/C9H15F3O/c1-5-3-7(9(10,11)12)4-8(13)6(5)2/h5-8,13H,3-4H2,1-2H3
InChIKeyJVNMEZYUMPXKLX-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol (CID 90213801) is 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol is CC1CC(C(F)(F)F)CC(O)C1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JVNMEZYUMPXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-5-3-7(9(10,11)12)4-8(13)6(5)2/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol?
2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 90213801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).