4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol

C9H12F6O2 — CID 13394408

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C9H12F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h5-6,16-17H,1-4H2
InChIKeyYJURVXBURBBCSV-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.39
Rot. Bonds1

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol (PubChem CID 13394408) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
PubChem CID13394408
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C9H12F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h5-6,16-17H,1-4H2
InChIKeyYJURVXBURBBCSV-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol (CID 13394408) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol is OC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
The InChIKey is YJURVXBURBBCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h5-6,16-17H,1-4H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol has a molecular weight of 266.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 13394408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).