4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol

C17H26F6O2 — CID 59720843

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol
SMILESCC1CC(C(C2CCC(O)C(C)C2)(C(F)(F)F)C(F)(F)F)CCC1O
InChIInChI=1S/C17H26F6O2/c1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12/h9-14,24-25H,3-8H2,1-2H3
InChIKeyNQPWAVZGXZAPDM-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.69
Rot. Bonds2

About 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol (PubChem CID 59720843) has the molecular formula C17H26F6O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol
PubChem CID59720843
Molecular FormulaC17H26F6O2
Molecular Weight376.38 g/mol
Exact Mass376.18
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol
SMILESCC1CC(C(C2CCC(O)C(C)C2)(C(F)(F)F)C(F)(F)F)CCC1O
InChIInChI=1S/C17H26F6O2/c1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12/h9-14,24-25H,3-8H2,1-2H3
InChIKeyNQPWAVZGXZAPDM-UHFFFAOYSA-N
XLogP4.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol (CID 59720843) is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol is CC1CC(C(C2CCC(O)C(C)C2)(C(F)(F)F)C(F)(F)F)CCC1O.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol?
The InChIKey is NQPWAVZGXZAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6O2/c1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12/h9-14,24-25H,3-8H2,1-2H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol?
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol has a molecular weight of 376.38 g/mol, XLogP of 4.69, 2 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-(4-hydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 59720843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).