1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene

C22H23F3 — CID 175685460

IUPAC1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
SMILESCCC1CCC(c2ccc(C(F)=C(F)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H23F3/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21(24)22(25)19-11-13-20(23)14-12-19/h7-16H,2-6H2,1H3
InChIKeyMOXFJQTXZBKLBW-UHFFFAOYSA-N
MW344.42 g/mol
LogP7.27
Rot. Bonds4

About 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene

1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene (PubChem CID 175685460) has the molecular formula C22H23F3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
PubChem CID175685460
Molecular FormulaC22H23F3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
SMILESCCC1CCC(c2ccc(C(F)=C(F)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H23F3/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21(24)22(25)19-11-13-20(23)14-12-19/h7-16H,2-6H2,1H3
InChIKeyMOXFJQTXZBKLBW-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
2-bromo-1-[4-(4-ethylcyclohexyl)phenyl]ethanone
CID 102133235
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene
CID 139790644
3-[4-(4-ethylcyclohexyl)phenyl]-6,8-difluoro-1,2-dihydronaphthalene
CID 139951917

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene?
The IUPAC name of 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene (CID 175685460) is 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene.
What is the SMILES notation for 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene?
The canonical SMILES for 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene is CCC1CCC(c2ccc(C(F)=C(F)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene?
The InChIKey is MOXFJQTXZBKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)21(24)22(25)19-11-13-20(23)14-12-19/h7-16H,2-6H2,1H3.
What are the key properties of 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene?
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene has a molecular weight of 344.42 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene is sourced from PubChem (CID 175685460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).