1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

C12H18F6O2 — CID 23570040

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H18F6O2/c1-9(2,19)7-3-5-8(6-4-7)10(20,11(13,14)15)12(16,17)18/h7-8,19-20H,3-6H2,1-2H3
InChIKeyZACGZWIREKLPKP-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.42
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 23570040) has the molecular formula C12H18F6O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID23570040
Molecular FormulaC12H18F6O2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H18F6O2/c1-9(2,19)7-3-5-8(6-4-7)10(20,11(13,14)15)12(16,17)18/h7-8,19-20H,3-6H2,1-2H3
InChIKeyZACGZWIREKLPKP-UHFFFAOYSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol with MolForge

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Related Compounds

p-MENTHAN-8-OL
CID 10353
2-(4-(Propan-2-yl)cyclohexyl)propan-2-ol
CID 232468
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
4-(tert-Butyl)-1-(trifluoromethyl)cyclohexanol
CID 14270574
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
9,9,9-Trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
CID 23272476
1,1,1,3,3,3-Hexafluoro-2-cyclohexyl-2-propanol
CID 11149363
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
4-(4-Propylcyclohexyl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexan-1-ol
CID 18650478
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 23570040) is 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is ZACGZWIREKLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O2/c1-9(2,19)7-3-5-8(6-4-7)10(20,11(13,14)15)12(16,17)18/h7-8,19-20H,3-6H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 308.26 g/mol, XLogP of 3.42, 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-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 23570040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).