4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol

C10H17F3O — CID 59374041

IUPAC4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7(2)8-3-5-9(14,6-4-8)10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyXCDWMTVNLYPVGV-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.13
Rot. Bonds1

About 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol

4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 59374041) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID59374041
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7(2)8-3-5-9(14,6-4-8)10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyXCDWMTVNLYPVGV-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol (CID 59374041) is 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol is CC(C)C1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XCDWMTVNLYPVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-7(2)8-3-5-9(14,6-4-8)10(11,12)13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 210.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 59374041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).