1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

C23H30F2 — CID 22465782

IUPAC1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
SMILESC=Cc1ccc(C2=CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H30F2/c1-3-5-16-6-8-18(9-7-16)19-10-12-20(13-11-19)21-15-14-17(4-2)22(24)23(21)25/h4,12,14-16,18-19H,2-3,5-11,13H2,1H3
InChIKeyAMXCOZKFHVBMGM-UHFFFAOYSA-N
MW344.49 g/mol
LogP7.40
Rot. Bonds5

About 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 22465782) has the molecular formula C23H30F2 and a molecular weight of 344.49 g/mol. Its IUPAC name is 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID22465782
Molecular FormulaC23H30F2
Molecular Weight344.49 g/mol
Exact Mass344.23
IUPAC Name1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
SMILESC=Cc1ccc(C2=CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H30F2/c1-3-5-16-6-8-18(9-7-16)19-10-12-20(13-11-19)21-15-14-17(4-2)22(24)23(21)25/h4,12,14-16,18-19H,2-3,5-11,13H2,1H3
InChIKeyAMXCOZKFHVBMGM-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
4-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-2,3-difluorophenol
CID 89203747
2,3-difluoro-1-[4-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]cyclohexen-1-yl]-4-methylbenzene
CID 76631882
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
2-[2,3-difluoro-4-[4-[4-[(E)-hept-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]oxirane
CID 89203836
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67739466
1-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67740145
2-fluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 139779236
1-butoxy-2-chloro-3-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 59256978
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
[6-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]-2,3-difluorophenyl] trifluoromethanesulfonate
CID 168864035
2,3-difluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]phenol
CID 89203839

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (CID 22465782) is 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is C=Cc1ccc(C2=CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is AMXCOZKFHVBMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2/c1-3-5-16-6-8-18(9-7-16)19-10-12-20(13-11-19)21-15-14-17(4-2)22(24)23(21)25/h4,12,14-16,18-19H,2-3,5-11,13H2,1H3.
What are the key properties of 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 344.49 g/mol, XLogP of 7.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 22465782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).