4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene

C25H32ClF — CID 23298836

IUPAC4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
SMILESCCCCCC1CCC(c2ccc(CCc3ccc(Cl)cc3F)cc2)CC1
InChIInChI=1S/C25H32ClF/c1-2-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(26)18-25(23)27/h8-9,13-14,16-19,21H,2-7,10-12,15H2,1H3
InChIKeyCYVHKWIPMDWVFV-UHFFFAOYSA-N
MW386.98 g/mol
LogP8.12
Rot. Bonds8

About 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene

4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 23298836) has the molecular formula C25H32ClF and a molecular weight of 386.98 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
PubChem CID23298836
Molecular FormulaC25H32ClF
Molecular Weight386.98 g/mol
Exact Mass386.22
IUPAC Name4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
SMILESCCCCCC1CCC(c2ccc(CCc3ccc(Cl)cc3F)cc2)CC1
InChIInChI=1S/C25H32ClF/c1-2-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(26)18-25(23)27/h8-9,13-14,16-19,21H,2-7,10-12,15H2,1H3
InChIKeyCYVHKWIPMDWVFV-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.98
LogP ≤ 58.12
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-chloro-1,3-difluoro-5-[2-[2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54379850
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
2-chloro-1,3-difluoro-5-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748672
1-ethoxy-2,3-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl]benzene
CID 154607279
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980
1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
CID 67797912
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene (CID 23298836) is 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene is CCCCCC1CCC(c2ccc(CCc3ccc(Cl)cc3F)cc2)CC1.
What is the InChIKey of 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is CYVHKWIPMDWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClF/c1-2-3-4-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(26)18-25(23)27/h8-9,13-14,16-19,21H,2-7,10-12,15H2,1H3.
What are the key properties of 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene?
4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 386.98 g/mol, XLogP of 8.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 23298836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).