[(E)-1,4-difluorobut-3-enyl]benzene

C10H10F2 — CID 132568387

IUPAC[(E)-1,4-difluorobut-3-enyl]benzene
SMILESF/C=C/CC(F)c1ccccc1
InChIInChI=1S/C10H10F2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4+
InChIKeyBTIGDNWHUMKZKK-XBXARRHUSA-N
MW168.19 g/mol
LogP3.57
Rot. Bonds3

About [(E)-1,4-difluorobut-3-enyl]benzene

[(E)-1,4-difluorobut-3-enyl]benzene (PubChem CID 132568387) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is [(E)-1,4-difluorobut-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-1,4-difluorobut-3-enyl]benzene
PubChem CID132568387
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name[(E)-1,4-difluorobut-3-enyl]benzene
SMILESF/C=C/CC(F)c1ccccc1
InChIInChI=1S/C10H10F2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4+
InChIKeyBTIGDNWHUMKZKK-XBXARRHUSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-1-fluorohex-3-enyl]benzene
CID 132568386
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
O-(2-fluoro-2-phenylethyl)hydroxylamine
CID 115012028
[fluoro(fluoro)methyl]benzene
CID 146164458
4-fluoro-4-phenylbutan-1-ol
CID 57250871
CID 173481561
CID 173481561
(1-fluoro-1-phenylpentan-3-yl)benzene
CID 150013028
4,4-diphenylbut-1-enylphosphane
CID 154147270
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
[2-(benzenesulfonyl)-1-fluoroethyl]benzene
CID 72723300
(3R)-3-phenylbutanal
CID 10877278

Frequently Asked Questions

What is the IUPAC name of [(E)-1,4-difluorobut-3-enyl]benzene?
The IUPAC name of [(E)-1,4-difluorobut-3-enyl]benzene (CID 132568387) is [(E)-1,4-difluorobut-3-enyl]benzene.
What is the SMILES notation for [(E)-1,4-difluorobut-3-enyl]benzene?
The canonical SMILES for [(E)-1,4-difluorobut-3-enyl]benzene is F/C=C/CC(F)c1ccccc1.
What is the InChIKey of [(E)-1,4-difluorobut-3-enyl]benzene?
The InChIKey is BTIGDNWHUMKZKK-XBXARRHUSA-N. The full InChI is InChI=1S/C10H10F2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-6,8,10H,7H2/b8-4+.
What are the key properties of [(E)-1,4-difluorobut-3-enyl]benzene?
[(E)-1,4-difluorobut-3-enyl]benzene has a molecular weight of 168.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,4-difluorobut-3-enyl]benzene is sourced from PubChem (CID 132568387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).