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

C23H27F3 — CID 10882919

IUPAC1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(22(25)14-18)19-11-13-21(24)23(26)15-19/h10-17H,2-9H2,1H3
InChIKeyQMHXNJZQSYSAIC-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.62
Rot. Bonds6

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

1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 10882919) has the molecular formula C23H27F3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID10882919
Molecular FormulaC23H27F3
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(22(25)14-18)19-11-13-21(24)23(26)15-19/h10-17H,2-9H2,1H3
InChIKeyQMHXNJZQSYSAIC-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.62
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

2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
5-(4-butylcyclohexyl)-2-[4-(3,4-difluorophenyl)-3-fluorophenyl]pyrimidine
CID 20708946
2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688098
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
CID 19609431
CID 19609431
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene (CID 10882919) is 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is QMHXNJZQSYSAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(22(25)14-18)19-11-13-21(24)23(26)15-19/h10-17H,2-9H2,1H3.
What are the key properties of 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene?
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 360.46 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 10882919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).