1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

C15H24F6O3 — CID 23570044

IUPAC1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C15H24F6O3/c1-11(2,22)8-5-9(12(3,23)14(16,17)18)7-10(6-8)13(4,24)15(19,20)21/h8-10,22-24H,5-7H2,1-4H3
InChIKeyRKGMGXFXSQEDOF-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.42
Rot. Bonds3

About 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 23570044) has the molecular formula C15H24F6O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID23570044
Molecular FormulaC15H24F6O3
Molecular Weight366.34 g/mol
Exact Mass366.16
IUPAC Name1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C15H24F6O3/c1-11(2,22)8-5-9(12(3,23)14(16,17)18)7-10(6-8)13(4,24)15(19,20)21/h8-10,22-24H,5-7H2,1-4H3
InChIKeyRKGMGXFXSQEDOF-UHFFFAOYSA-N
XLogP3.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylcyclohexyl]propan-2-ol
CID 20768615
3-(1,1-Difluoroethyl)-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 20781753
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 20781754

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 23570044) is 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(C)(O)C1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is RKGMGXFXSQEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O3/c1-11(2,22)8-5-9(12(3,23)14(16,17)18)7-10(6-8)13(4,24)15(19,20)21/h8-10,22-24H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 366.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 23570044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).