[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol

C20H34F2O — CID 20645967

IUPAC[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol
SMILESCC1CCC(C2CCC(C3CCC(CO)C(F)C3F)CC2)CC1
InChIInChI=1S/C20H34F2O/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-11-10-17(12-23)19(21)20(18)22/h13-20,23H,2-12H2,1H3
InChIKeyUEQGIXYNRRHTGY-UHFFFAOYSA-N
MW328.49 g/mol
LogP5.31
Rot. Bonds3

About [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol

[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol (PubChem CID 20645967) has the molecular formula C20H34F2O and a molecular weight of 328.49 g/mol. Its IUPAC name is [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol
PubChem CID20645967
Molecular FormulaC20H34F2O
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol
SMILESCC1CCC(C2CCC(C3CCC(CO)C(F)C3F)CC2)CC1
InChIInChI=1S/C20H34F2O/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-11-10-17(12-23)19(21)20(18)22/h13-20,23H,2-12H2,1H3
InChIKeyUEQGIXYNRRHTGY-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol?
The IUPAC name of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol (CID 20645967) is [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol.
What is the SMILES notation for [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol?
The canonical SMILES for [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol is CC1CCC(C2CCC(C3CCC(CO)C(F)C3F)CC2)CC1.
What is the InChIKey of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol?
The InChIKey is UEQGIXYNRRHTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2O/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)18-11-10-17(12-23)19(21)20(18)22/h13-20,23H,2-12H2,1H3.
What are the key properties of [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol?
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol has a molecular weight of 328.49 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]methanol is sourced from PubChem (CID 20645967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).