1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene

C26H34F2 — CID 139708846

IUPAC1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C26H34F2/c1-3-4-5-6-20-7-11-22(12-8-20)19(2)17-21-9-13-23(14-10-21)24-15-16-25(27)26(28)18-24/h9-10,13-16,18-20,22H,3-8,11-12,17H2,1-2H3
InChIKeyGUMLZSNJQLKRNL-UHFFFAOYSA-N
MW384.55 g/mol
LogP8.20
Rot. Bonds8

About 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene

1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene (PubChem CID 139708846) has the molecular formula C26H34F2 and a molecular weight of 384.55 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
PubChem CID139708846
Molecular FormulaC26H34F2
Molecular Weight384.55 g/mol
Exact Mass384.26
IUPAC Name1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C26H34F2/c1-3-4-5-6-20-7-11-22(12-8-20)19(2)17-21-9-13-23(14-10-21)24-15-16-25(27)26(28)18-24/h9-10,13-16,18-20,22H,3-8,11-12,17H2,1-2H3
InChIKeyGUMLZSNJQLKRNL-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 58.20
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

4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
2-chloro-4-(3,4-difluorophenyl)-1-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 54366134
2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708948
2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
CID 139708699
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
CID 139710818
1-ethyl-3-[(2S)-2-(4-hexylcyclohexyl)propyl]benzene
CID 143682920

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene (CID 139708846) is 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene is CCCCCC1CCC(C(C)Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene?
The InChIKey is GUMLZSNJQLKRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2/c1-3-4-5-6-20-7-11-22(12-8-20)19(2)17-21-9-13-23(14-10-21)24-15-16-25(27)26(28)18-24/h9-10,13-16,18-20,22H,3-8,11-12,17H2,1-2H3.
What are the key properties of 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene?
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene has a molecular weight of 384.55 g/mol, XLogP of 8.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene is sourced from PubChem (CID 139708846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).