1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene

C26H41F — CID 67922495

IUPAC1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(F)(CCC)CC3)cc2)CC1
InChIInChI=1S/C26H41F/c1-3-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-19-26(27,18-4-2)20-17-25/h12-15,21-22,25H,3-11,16-20H2,1-2H3
InChIKeyBGKHBHIRXLRKCW-UHFFFAOYSA-N
MW372.61 g/mol
LogP8.71
Rot. Bonds8

About 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene

1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene (PubChem CID 67922495) has the molecular formula C26H41F and a molecular weight of 372.61 g/mol. Its IUPAC name is 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
PubChem CID67922495
Molecular FormulaC26H41F
Molecular Weight372.61 g/mol
Exact Mass372.32
IUPAC Name1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(F)(CCC)CC3)cc2)CC1
InChIInChI=1S/C26H41F/c1-3-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-19-26(27,18-4-2)20-17-25/h12-15,21-22,25H,3-11,16-20H2,1-2H3
InChIKeyBGKHBHIRXLRKCW-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.61
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-butyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexane-1-carbonitrile
CID 18643180
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene (CID 67922495) is 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(C3CCC(F)(CCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
The InChIKey is BGKHBHIRXLRKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41F/c1-3-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-19-26(27,18-4-2)20-17-25/h12-15,21-22,25H,3-11,16-20H2,1-2H3.
What are the key properties of 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene has a molecular weight of 372.61 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-propylcyclohexyl)-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 67922495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).