1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene

C19H19F3 — CID 139790762

IUPAC1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
SMILESCCCc1ccc(/C(F)=C(\F)c2ccc(CC)cc2)c(F)c1
InChIInChI=1S/C19H19F3/c1-3-5-14-8-11-16(17(20)12-14)19(22)18(21)15-9-6-13(4-2)7-10-15/h6-12H,3-5H2,1-2H3/b19-18+
InChIKeyJLJADAMULHZEBI-VHEBQXMUSA-N
MW304.36 g/mol
LogP6.11
Rot. Bonds5

About 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene

1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene (PubChem CID 139790762) has the molecular formula C19H19F3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
PubChem CID139790762
Molecular FormulaC19H19F3
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
SMILESCCCc1ccc(/C(F)=C(\F)c2ccc(CC)cc2)c(F)c1
InChIInChI=1S/C19H19F3/c1-3-5-14-8-11-16(17(20)12-14)19(22)18(21)15-9-6-13(4-2)7-10-15/h6-12H,3-5H2,1-2H3/b19-18+
InChIKeyJLJADAMULHZEBI-VHEBQXMUSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 56.11
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)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-pentylbenzene
CID 139790705
5-[1,2-difluoro-2-[2-fluoro-4-(4-propylphenyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 123280656
2-fluoro-4-propylbenzamide
CID 175786906
1-(2-fluoro-4-propylphenyl)prop-2-en-1-one
CID 19101325
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
CID 139862628
7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
CID 139862507
1,2-difluoro-4-propylbenzene;methane
CID 160697343
3-chloro-1-(2-fluoro-4-propylphenyl)propan-1-one
CID 19859591
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
CID 139790656
4-butoxy-1-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-2-fluorobenzene
CID 139790669
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213
5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
CID 54166498

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene?
The IUPAC name of 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene (CID 139790762) is 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene.
What is the SMILES notation for 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene?
The canonical SMILES for 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene is CCCc1ccc(/C(F)=C(\F)c2ccc(CC)cc2)c(F)c1.
What is the InChIKey of 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene?
The InChIKey is JLJADAMULHZEBI-VHEBQXMUSA-N. The full InChI is InChI=1S/C19H19F3/c1-3-5-14-8-11-16(17(20)12-14)19(22)18(21)15-9-6-13(4-2)7-10-15/h6-12H,3-5H2,1-2H3/b19-18+.
What are the key properties of 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene?
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene has a molecular weight of 304.36 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene is sourced from PubChem (CID 139790762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).