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

C11H12F2 — CID 132509961

IUPAC[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
SMILESCC(/C=C/c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+
InChIKeyJAKGHMOPQBILKX-BQYQJAHWSA-N
MW182.21 g/mol
LogP3.60
Rot. Bonds3

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

[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene (PubChem CID 132509961) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
PubChem CID132509961
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
SMILESCC(/C=C/c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+
InChIKeyJAKGHMOPQBILKX-BQYQJAHWSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trimethyl(2-phenylethenyl)phosphanium
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(Z,2R)-4-phenylbut-3-en-2-ol
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[(E)-3-benzyl-4,4-difluorobut-1-enyl]benzene
CID 132509962
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
3-phenylprop-2-ene-1,1-diol
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(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
3-(chloromethyl)hexa-1,4-dienylbenzene
CID 174732594

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene?
The IUPAC name of [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene (CID 132509961) is [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene.
What is the SMILES notation for [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene?
The canonical SMILES for [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene is CC(/C=C/c1ccccc1)C(F)F.
What is the InChIKey of [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene?
The InChIKey is JAKGHMOPQBILKX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12F2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+.
What are the key properties of [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene?
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene has a molecular weight of 182.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-difluoro-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 132509961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).