5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol

C17H24F2O — CID 19706379

IUPAC5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol
SMILESOCCCCCC1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C17H24F2O/c18-16-7-4-6-15(17(16)19)14-10-8-13(9-11-14)5-2-1-3-12-20/h4,6-7,13-14,20H,1-3,5,8-12H2
InChIKeyQOFBMNHTESDWGM-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.79
Rot. Bonds6

About 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol

5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol (PubChem CID 19706379) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol
PubChem CID19706379
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol
SMILESOCCCCCC1CCC(c2cccc(F)c2F)CC1
InChIInChI=1S/C17H24F2O/c18-16-7-4-6-15(17(16)19)14-10-8-13(9-11-14)5-2-1-3-12-20/h4,6-7,13-14,20H,1-3,5,8-12H2
InChIKeyQOFBMNHTESDWGM-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.79
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

2-[4-(2,3-difluorophenyl)cyclohexyl]ethanol
CID 139792996
1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
CID 134365637
1,2-difluoro-3-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
CID 134365576
N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-4-(4-heptylcyclohexyl)benzonitrile
CID 14548534
[2-fluoro-3-(4-propylcyclohexyl)phenoxy]boronic acid
CID 151058470
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one
CID 59346077
1-[3-fluoro-2-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118283767

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol?
The IUPAC name of 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol (CID 19706379) is 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol.
What is the SMILES notation for 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol?
The canonical SMILES for 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol is OCCCCCC1CCC(c2cccc(F)c2F)CC1.
What is the InChIKey of 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol?
The InChIKey is QOFBMNHTESDWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c18-16-7-4-6-15(17(16)19)14-10-8-13(9-11-14)5-2-1-3-12-20/h4,6-7,13-14,20H,1-3,5,8-12H2.
What are the key properties of 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol?
5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol has a molecular weight of 282.37 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-difluorophenyl)cyclohexyl]pentan-1-ol is sourced from PubChem (CID 19706379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).