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

C15H15F15O3 — CID 23570036

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(O)(C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C15H15F15O3/c1-8(31,11(16,17)18)5-2-6(9(32,12(19,20)21)13(22,23)24)4-7(3-5)10(33,14(25,26)27)15(28,29)30/h5-7,31-33H,2-4H2,1H3
InChIKeyYNMBBYSBQLBFSX-UHFFFAOYSA-N
MW528.25 g/mol
LogP5.04
Rot. Bonds3

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

1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 23570036) has the molecular formula C15H15F15O3 and a molecular weight of 528.25 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID23570036
Molecular FormulaC15H15F15O3
Molecular Weight528.25 g/mol
Exact Mass528.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(O)(C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C15H15F15O3/c1-8(31,11(16,17)18)5-2-6(9(32,12(19,20)21)13(22,23)24)4-7(3-5)10(33,14(25,26)27)15(28,29)30/h5-7,31-33H,2-4H2,1H3
InChIKeyYNMBBYSBQLBFSX-UHFFFAOYSA-N
XLogP5.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.25
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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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-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohexanol
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-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(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-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 23570036) is 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(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-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(O)(C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(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-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is YNMBBYSBQLBFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F15O3/c1-8(31,11(16,17)18)5-2-6(9(32,12(19,20)21)13(22,23)24)4-7(3-5)10(33,14(25,26)27)15(28,29)30/h5-7,31-33H,2-4H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 528.25 g/mol, XLogP of 5.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 23570036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).