2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol

C23H40F2O — CID 142486175

IUPAC2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
SMILESCCCCCC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26)23(25)22(20)24/h16-23,26H,2-15H2,1H3
InChIKeyXAGCRGWUYQGXGU-UHFFFAOYSA-N
MW370.57 g/mol
LogP6.63
Rot. Bonds6

About 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol

2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol (PubChem CID 142486175) has the molecular formula C23H40F2O and a molecular weight of 370.57 g/mol. Its IUPAC name is 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
PubChem CID142486175
Molecular FormulaC23H40F2O
Molecular Weight370.57 g/mol
Exact Mass370.30
IUPAC Name2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
SMILESCCCCCC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C23H40F2O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26)23(25)22(20)24/h16-23,26H,2-15H2,1H3
InChIKeyXAGCRGWUYQGXGU-UHFFFAOYSA-N
XLogP6.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-[2-(2,3-difluoro-4-methylcyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437368
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
cis-(1R,2S)-2,3-difluoro-1-[4-[3-(2-fluoro-4-methylcyclohexyl)propyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 90437111
4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol
CID 138663744
4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 138663959
1-[2-[4-(4-ethyl-2-fluorocyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437161
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
CID 140565841
1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 18533814
(3S)-1-cyclohexyl-2,3-difluoro-4-[2-[4-(2-fluoro-4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 90437163

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol (CID 142486175) is 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol is CCCCCC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
The InChIKey is XAGCRGWUYQGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F2O/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26)23(25)22(20)24/h16-23,26H,2-15H2,1H3.
What are the key properties of 2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol?
2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol has a molecular weight of 370.57 g/mol, XLogP of 6.63, 6 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-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 142486175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).