3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene

C25H32ClF — CID 89022910

IUPAC3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene
SMILESC=CC1CCC(C2CC=C(c3ccc(CC/C=C/C)c(Cl)c3F)CC2)CC1
InChIInChI=1S/C25H32ClF/c1-3-5-6-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(4-2)9-11-19/h3-5,14,16-20H,2,6-13,15H2,1H3/b5-3+
InChIKeyTZOOOYIYLDZTBX-HWKANZROSA-N
MW386.98 g/mol
LogP8.16
Rot. Bonds6

About 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene

3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene (PubChem CID 89022910) has the molecular formula C25H32ClF and a molecular weight of 386.98 g/mol. Its IUPAC name is 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene.

Molecular Properties

Compound Name3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene
PubChem CID89022910
Molecular FormulaC25H32ClF
Molecular Weight386.98 g/mol
Exact Mass386.22
IUPAC Name3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene
SMILESC=CC1CCC(C2CC=C(c3ccc(CC/C=C/C)c(Cl)c3F)CC2)CC1
InChIInChI=1S/C25H32ClF/c1-3-5-6-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(4-2)9-11-19/h3-5,14,16-20H,2,6-13,15H2,1H3/b5-3+
InChIKeyTZOOOYIYLDZTBX-HWKANZROSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.98
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740061
1-[4-(4-ethylcyclohexyl)but-3-enyl]-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 77417388
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740072
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]-3-chloro-4-ethyl-2-fluorobenzene
CID 59257319
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740069
1-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 67740084
1-[4-[4-[[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]-2,3-difluorophenyl]methoxy]cyclohexyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453779
2,3-difluoro-1-pentyl-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 76631739
1-[4-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67740179
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 88993495
1-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-3-chloro-4-ethoxy-2-fluorobenzene
CID 59256952
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-hex-5-enylbenzene
CID 88998259

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene?
The IUPAC name of 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene (CID 89022910) is 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene.
What is the SMILES notation for 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene?
The canonical SMILES for 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene is C=CC1CCC(C2CC=C(c3ccc(CC/C=C/C)c(Cl)c3F)CC2)CC1.
What is the InChIKey of 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene?
The InChIKey is TZOOOYIYLDZTBX-HWKANZROSA-N. The full InChI is InChI=1S/C25H32ClF/c1-3-5-6-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(4-2)9-11-19/h3-5,14,16-20H,2,6-13,15H2,1H3/b5-3+.
What are the key properties of 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene?
3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene has a molecular weight of 386.98 g/mol, XLogP of 8.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-2-fluoro-4-[(E)-pent-3-enyl]benzene is sourced from PubChem (CID 89022910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).