1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene

C26H32F4 — CID 59874072

IUPAC1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CCC)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C26H32F4/c1-3-5-6-8-17-9-11-18(12-10-17)20-15-16-22(26(30)24(20)28)21-14-13-19(7-4-2)23(27)25(21)29/h13-18H,3-12H2,1-2H3
InChIKeyVIHCIKFGPXNGJA-UHFFFAOYSA-N
MW420.53 g/mol
LogP8.72
Rot. Bonds8

About 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene

1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 59874072) has the molecular formula C26H32F4 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
PubChem CID59874072
Molecular FormulaC26H32F4
Molecular Weight420.53 g/mol
Exact Mass420.24
IUPAC Name1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CCC)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C26H32F4/c1-3-5-6-8-17-9-11-18(12-10-17)20-15-16-22(26(30)24(20)28)21-14-13-19(7-4-2)23(27)25(21)29/h13-18H,3-12H2,1-2H3
InChIKeyVIHCIKFGPXNGJA-UHFFFAOYSA-N
XLogP8.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 58.72
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-butyl-4-[4-[2,3-difluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 67730689
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 67738242
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
1-[2,3-difluoro-4-(4-hexylcyclohexyl)phenyl]-2,3-difluoro-4-[(Z)-pent-2-enyl]benzene
CID 134358783
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
7-(4-butylcyclohexyl)-3-[2-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]ethyl]-1,2,8-trifluorobiphenylene
CID 134465173
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
2-[4-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88894034
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-(2,3-difluoro-4-heptylphenyl)-2,3-difluorobenzene
CID 20621628
1-[(E)-4-chlorobut-3-enyl]-2,3-difluoro-4-(4-octylcyclohexyl)benzene
CID 18656468

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene (CID 59874072) is 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene is CCCCCC1CCC(c2ccc(-c3ccc(CCC)c(F)c3F)c(F)c2F)CC1.
What is the InChIKey of 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is VIHCIKFGPXNGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4/c1-3-5-6-8-17-9-11-18(12-10-17)20-15-16-22(26(30)24(20)28)21-14-13-19(7-4-2)23(27)25(21)29/h13-18H,3-12H2,1-2H3.
What are the key properties of 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene?
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 420.53 g/mol, XLogP of 8.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 59874072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).