1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene

C18H17F3 — CID 22991430

IUPAC1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
SMILESCCCC/C(F)=C(\F)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17F3/c1-2-3-4-17(20)18(21)15-7-5-13(6-8-15)14-9-11-16(19)12-10-14/h5-12H,2-4H2,1H3/b18-17+
InChIKeyYWJPZGRTDLGJQC-ISLYRVAYSA-N
MW290.33 g/mol
LogP6.29
Rot. Bonds5

About 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene

1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene (PubChem CID 22991430) has the molecular formula C18H17F3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
PubChem CID22991430
Molecular FormulaC18H17F3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
SMILESCCCC/C(F)=C(\F)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17F3/c1-2-3-4-17(20)18(21)15-7-5-13(6-8-15)14-9-11-16(19)12-10-14/h5-12H,2-4H2,1H3/b18-17+
InChIKeyYWJPZGRTDLGJQC-ISLYRVAYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.33
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
CID 70028026
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-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
4-[(Z)-1,2-difluorohex-1-enyl]-2-fluoro-1-[2-(4-propylphenyl)ethyl]benzene
CID 70028319
2-[4-[(E)-1,2-difluorooct-1-enyl]phenyl]-4-propylbenzoic acid
CID 22991478
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
bis(4-fluorophenyl)methyl 4-(4-butylphenyl)benzoate
CID 143114592
2-butyl-3-(4-fluorophenyl)hept-2-enamide
CID 175006510

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene?
The IUPAC name of 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene (CID 22991430) is 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene?
The canonical SMILES for 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene is CCCC/C(F)=C(\F)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene?
The InChIKey is YWJPZGRTDLGJQC-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H17F3/c1-2-3-4-17(20)18(21)15-7-5-13(6-8-15)14-9-11-16(19)12-10-14/h5-12H,2-4H2,1H3/b18-17+.
What are the key properties of 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene?
1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene has a molecular weight of 290.33 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene is sourced from PubChem (CID 22991430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).