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

C17H16F2 — CID 132509962

IUPAC[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene
SMILESFC(F)C(/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H16F2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16-17H,13H2/b12-11+
InChIKeyAHSXWQKKBDVOFL-VAWYXSNFSA-N
MW258.31 g/mol
LogP4.82
Rot. Bonds5

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

[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene (PubChem CID 132509962) has the molecular formula C17H16F2 and a molecular weight of 258.31 g/mol. Its IUPAC name is [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene
PubChem CID132509962
Molecular FormulaC17H16F2
Molecular Weight258.31 g/mol
Exact Mass258.12
IUPAC Name[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene
SMILESFC(F)C(/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H16F2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16-17H,13H2/b12-11+
InChIKeyAHSXWQKKBDVOFL-VAWYXSNFSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-1,4-diphenylbut-3-en-2-amine
CID 123901832
1,4-diphenylbut-3-en-2-amine
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[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
3-phenylprop-2-ene-1,1-diol
CID 54432533
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(1R)-1-fluoro-2-phenylethanol
CID 163366132
[(2R)-2-fluoro-2-iodoethyl]benzene
CID 124672761
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol
CID 56588629

Frequently Asked Questions

What is the IUPAC name of [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene?
The IUPAC name of [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene (CID 132509962) is [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene.
What is the SMILES notation for [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene?
The canonical SMILES for [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene is FC(F)C(/C=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene?
The InChIKey is AHSXWQKKBDVOFL-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16F2/c18-17(19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12,16-17H,13H2/b12-11+.
What are the key properties of [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene?
[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene has a molecular weight of 258.31 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene is sourced from PubChem (CID 132509962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).