4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol

C23H38F2O — CID 138663959

IUPAC4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(C2CCC(C3CCC(C4CCCC4)CC3)CC2)C(F)C1F
InChIInChI=1S/C23H38F2O/c24-22-20(13-14-21(26)23(22)25)19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-2-4-15/h15-23,26H,1-14H2
InChIKeyRITMTIWNLDAVPG-UHFFFAOYSA-N
MW368.55 g/mol
LogP6.24
Rot. Bonds3

About 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol

4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol (PubChem CID 138663959) has the molecular formula C23H38F2O and a molecular weight of 368.55 g/mol. Its IUPAC name is 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
PubChem CID138663959
Molecular FormulaC23H38F2O
Molecular Weight368.55 g/mol
Exact Mass368.29
IUPAC Name4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(C2CCC(C3CCC(C4CCCC4)CC3)CC2)C(F)C1F
InChIInChI=1S/C23H38F2O/c24-22-20(13-14-21(26)23(22)25)19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-2-4-15/h15-23,26H,1-14H2
InChIKeyRITMTIWNLDAVPG-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
The IUPAC name of 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol (CID 138663959) is 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol is OC1CCC(C2CCC(C3CCC(C4CCCC4)CC3)CC2)C(F)C1F.
What is the InChIKey of 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
The InChIKey is RITMTIWNLDAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F2O/c24-22-20(13-14-21(26)23(22)25)19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-2-4-15/h15-23,26H,1-14H2.
What are the key properties of 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol?
4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol has a molecular weight of 368.55 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 138663959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).