3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene

C12H10F2 — CID 175190379

IUPAC3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene
SMILESC=CC=Cc1c(F)ccc(C=C)c1F
InChIInChI=1S/C12H10F2/c1-3-5-6-10-11(13)8-7-9(4-2)12(10)14/h3-8H,1-2H2
InChIKeyCRIWHWQKOFQUTN-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.81
Rot. Bonds3

About 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene

3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene (PubChem CID 175190379) has the molecular formula C12H10F2 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene.

Molecular Properties

Compound Name3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene
PubChem CID175190379
Molecular FormulaC12H10F2
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene
SMILESC=CC=Cc1c(F)ccc(C=C)c1F
InChIInChI=1S/C12H10F2/c1-3-5-6-10-11(13)8-7-9(4-2)12(10)14/h3-8H,1-2H2
InChIKeyCRIWHWQKOFQUTN-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene?
The IUPAC name of 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene (CID 175190379) is 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene.
What is the SMILES notation for 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene?
The canonical SMILES for 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene is C=CC=Cc1c(F)ccc(C=C)c1F.
What is the InChIKey of 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene?
The InChIKey is CRIWHWQKOFQUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2/c1-3-5-6-10-11(13)8-7-9(4-2)12(10)14/h3-8H,1-2H2.
What are the key properties of 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene?
3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene has a molecular weight of 192.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene is sourced from PubChem (CID 175190379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).