1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene

C10H8F2 — CID 178070842

IUPAC1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
SMILESC=C/C=C/c1ccc(F)cc1F
InChIInChI=1S/C10H8F2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h2-7H,1H2/b4-3+
InChIKeyXPHWFOUSRVIITJ-ONEGZZNKSA-N
MW166.17 g/mol
LogP3.16
Rot. Bonds2

About 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene

1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene (PubChem CID 178070842) has the molecular formula C10H8F2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
PubChem CID178070842
Molecular FormulaC10H8F2
Molecular Weight166.17 g/mol
Exact Mass166.06
IUPAC Name1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
SMILESC=C/C=C/c1ccc(F)cc1F
InChIInChI=1S/C10H8F2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h2-7H,1H2/b4-3+
InChIKeyXPHWFOUSRVIITJ-ONEGZZNKSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[(1E)-buta-1,3-dienyl]-4-fluorobenzene
CID 169084870
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541
2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
CID 67288123
1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
CID 73043521
2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide
CID 66992508
(4S,5R)-3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4,5-dihydroxycyclopent-2-en-1-one
CID 178074843
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene (CID 178070842) is 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene is C=C/C=C/c1ccc(F)cc1F.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene?
The InChIKey is XPHWFOUSRVIITJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H8F2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h2-7H,1H2/b4-3+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene?
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene has a molecular weight of 166.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene is sourced from PubChem (CID 178070842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).