4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene

C23H27F3 — CID 70028319

IUPAC4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCC/C(F)=C(/F)c1ccc(CCc2ccc(CCC)cc2)c(F)c1
InChIInChI=1S/C23H27F3/c1-3-5-7-21(24)23(26)20-15-14-19(22(25)16-20)13-12-18-10-8-17(6-4-2)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3/b23-21-
InChIKeyUGWPPSRGVZKSTE-LNVKXUELSA-N
MW360.46 g/mol
LogP7.36
Rot. Bonds9

About 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene

4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 70028319) has the molecular formula C23H27F3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
PubChem CID70028319
Molecular FormulaC23H27F3
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCC/C(F)=C(/F)c1ccc(CCc2ccc(CCC)cc2)c(F)c1
InChIInChI=1S/C23H27F3/c1-3-5-7-21(24)23(26)20-15-14-19(22(25)16-20)13-12-18-10-8-17(6-4-2)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3/b23-21-
InChIKeyUGWPPSRGVZKSTE-LNVKXUELSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-but-3-enyl-5-[4-[2-[4-[4-(1,2-difluorohex-1-enyl)-2-fluorophenyl]-2-fluorophenyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 123708542
1-decyl-4-[2-[4-[(E)-1,2-difluoronon-1-enyl]phenyl]ethyl]benzene
CID 70029827
5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
CID 54166498
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
4-butoxy-1-[2-[4-[2-(4-butoxy-2-fluorophenyl)ethyl]phenyl]ethyl]-2-fluorobenzene
CID 19008316
1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 70184913
1-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
CID 22991430
5-[(Z)-1,2-difluoropent-1-enyl]-2-[2-(3,5-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 22991338
1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
CID 70028026
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene (CID 70028319) is 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene is CCCC/C(F)=C(/F)c1ccc(CCc2ccc(CCC)cc2)c(F)c1.
What is the InChIKey of 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is UGWPPSRGVZKSTE-LNVKXUELSA-N. The full InChI is InChI=1S/C23H27F3/c1-3-5-7-21(24)23(26)20-15-14-19(22(25)16-20)13-12-18-10-8-17(6-4-2)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3/b23-21-.
What are the key properties of 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene?
4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 360.46 g/mol, XLogP of 7.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 70028319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).