1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

C12H15F9O2 — CID 23570038

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(O)(C1CCCC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C12H15F9O2/c1-8(22,10(13,14)15)6-3-2-4-7(5-6)9(23,11(16,17)18)12(19,20)21/h6-7,22-23H,2-5H2,1H3
InChIKeyJYMLJLHQQWDFCP-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.96
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 23570038) has the molecular formula C12H15F9O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID23570038
Molecular FormulaC12H15F9O2
Molecular Weight362.23 g/mol
Exact Mass362.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(O)(C1CCCC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C12H15F9O2/c1-8(22,10(13,14)15)6-3-2-4-7(5-6)9(23,11(16,17)18)12(19,20)21/h6-7,22-23H,2-5H2,1H3
InChIKeyJYMLJLHQQWDFCP-UHFFFAOYSA-N
XLogP3.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl]propan-2-ol
CID 10557498
1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)-1,3-cyclohexanediol
CID 10693221
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 13394408
2,2'-(1,4-Cyclohexanediyl)bis(1,1,1,3,3,3-hexafluoro-2-propanol)
CID 13876330
4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
CID 13876334
1-Methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 14412982
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,3,6,6-hexafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743869
1,1,1,3,3,3-Hexafluoro-2-[1,2,2,6-tetrafluoro-3-(fluoromethyl)-4,5-dimethylcyclohexyl]propan-2-ol
CID 20743870
2-[1,2-Difluoro-5-(fluoromethyl)-3,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20743915
5-Ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol
CID 20760671

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 23570038) is 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(O)(C1CCCC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is JYMLJLHQQWDFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O2/c1-8(22,10(13,14)15)6-3-2-4-7(5-6)9(23,11(16,17)18)12(19,20)21/h6-7,22-23H,2-5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 362.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 23570038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).