2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene

C18H24ClF — CID 59257313

IUPAC2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCc1ccc(C2=CCC(CCC)CC2)c(F)c1Cl
InChIInChI=1S/C18H24ClF/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h9,11-13H,3-8,10H2,1-2H3
InChIKeyYVVXEMVELFZEPW-UHFFFAOYSA-N
MW294.84 g/mol
LogP6.42
Rot. Bonds5

About 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene

2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene (PubChem CID 59257313) has the molecular formula C18H24ClF and a molecular weight of 294.84 g/mol. Its IUPAC name is 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
PubChem CID59257313
Molecular FormulaC18H24ClF
Molecular Weight294.84 g/mol
Exact Mass294.16
IUPAC Name2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
SMILESCCCc1ccc(C2=CCC(CCC)CC2)c(F)c1Cl
InChIInChI=1S/C18H24ClF/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h9,11-13H,3-8,10H2,1-2H3
InChIKeyYVVXEMVELFZEPW-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.84
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-3-chloro-2-fluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257379
2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
CID 59257271
2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 59257225
1-butyl-3-chloro-2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]benzene
CID 59257425
1-butyl-2-chloro-3-fluoro-4-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]benzene
CID 59257200
1-butyl-3-chloro-2-fluoro-4-[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59257363
2-chloro-3-fluoro-1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-propylbenzene
CID 59257044
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
3-chloro-1-(4-ethylcyclohexen-1-yl)-2-fluoro-4-(4-pentylphenyl)benzene
CID 59257383
1-butyl-2,3-difluoro-4-(4-pent-3-enylcyclohexen-1-yl)benzene
CID 76631767
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-octylbenzene
CID 67731413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene?
The IUPAC name of 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene (CID 59257313) is 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene.
What is the SMILES notation for 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene?
The canonical SMILES for 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene is CCCc1ccc(C2=CCC(CCC)CC2)c(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene?
The InChIKey is YVVXEMVELFZEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene?
2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene has a molecular weight of 294.84 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene is sourced from PubChem (CID 59257313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).