1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene

C19H20F2 — CID 70028026

IUPAC1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
SMILESCCCC/C(F)=C(/F)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20F2/c1-3-4-5-18(20)19(21)17-12-10-16(11-13-17)15-8-6-14(2)7-9-15/h6-13H,3-5H2,1-2H3/b19-18-
InChIKeyITTYVAGUELCDCL-HNENSFHCSA-N
MW286.37 g/mol
LogP6.46
Rot. Bonds5

About 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene

1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene (PubChem CID 70028026) has the molecular formula C19H20F2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
PubChem CID70028026
Molecular FormulaC19H20F2
Molecular Weight286.37 g/mol
Exact Mass286.15
IUPAC Name1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
SMILESCCCC/C(F)=C(/F)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20F2/c1-3-4-5-18(20)19(21)17-12-10-16(11-13-17)15-8-6-14(2)7-9-15/h6-13H,3-5H2,1-2H3/b19-18-
InChIKeyITTYVAGUELCDCL-HNENSFHCSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
CID 22991430
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
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
CID 139790656
1-decyl-4-[2-[4-[(E)-1,2-difluoronon-1-enyl]phenyl]ethyl]benzene
CID 70029827
2-[4-(1,2-difluorohept-1-enyl)phenyl]-3,4-difluorobenzoic acid
CID 70027722
2-[4-[(E)-1,2-difluorohept-1-enyl]phenyl]-3,4-difluorobenzoic acid
CID 22991441
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one
CID 11218730
2-[4-[(E)-1,2-difluorooct-1-enyl]phenyl]-4-propylbenzoic acid
CID 22991478
4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
CID 70028319

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene?
The IUPAC name of 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene (CID 70028026) is 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene is CCCC/C(F)=C(/F)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene?
The InChIKey is ITTYVAGUELCDCL-HNENSFHCSA-N. The full InChI is InChI=1S/C19H20F2/c1-3-4-5-18(20)19(21)17-12-10-16(11-13-17)15-8-6-14(2)7-9-15/h6-13H,3-5H2,1-2H3/b19-18-.
What are the key properties of 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene?
1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene has a molecular weight of 286.37 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene is sourced from PubChem (CID 70028026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).