1,3-difluorobuta-1,2-diene

C4H4F2 — CID 174621316

IUPAC1,3-difluorobuta-1,2-diene
SMILESCC(F)=C=CF
InChIInChI=1S/C4H4F2/c1-4(6)2-3-5/h3H,1H3
InChIKeySELDYAOITSGHJF-UHFFFAOYSA-N
MW90.07 g/mol
LogP1.94
Rot. Bonds

About 1,3-difluorobuta-1,2-diene

1,3-difluorobuta-1,2-diene (PubChem CID 174621316) has the molecular formula C4H4F2 and a molecular weight of 90.07 g/mol. Its IUPAC name is 1,3-difluorobuta-1,2-diene.

Molecular Properties

Compound Name1,3-difluorobuta-1,2-diene
PubChem CID174621316
Molecular FormulaC4H4F2
Molecular Weight90.07 g/mol
Exact Mass90.03
IUPAC Name1,3-difluorobuta-1,2-diene
SMILESCC(F)=C=CF
InChIInChI=1S/C4H4F2/c1-4(6)2-3-5/h3H,1H3
InChIKeySELDYAOITSGHJF-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.07
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-Trifluoropenta-2,3-diene
CID 56991262
(E)-1,2-difluoroprop-1-ene
CID 59951260
1,1-Difluoropenta-2,3-diene
CID 15710922
(Z)-1,2-difluoroprop-1-ene
CID 16719786
(Z)-2,3-difluorobut-2-ene
CID 18332036
1,1-Difluorobuta-1,2-diene
CID 20197104
6,7-Difluorohepta-1,2,3,4,5-pentaene
CID 20708571
ZINC;carbanide;3,3,3-trifluoroprop-1-ene
CID 21135787
2,3-Difluorobuta-1,3-diene
CID 21932375
(Z)-1,2,3-trifluorobut-2-ene
CID 23579456
2,3-Difluorobut-2-ene
CID 53739983
1,2-Difluoroprop-1-ene
CID 53880379

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobuta-1,2-diene?
The IUPAC name of 1,3-difluorobuta-1,2-diene (CID 174621316) is 1,3-difluorobuta-1,2-diene.
What is the SMILES notation for 1,3-difluorobuta-1,2-diene?
The canonical SMILES for 1,3-difluorobuta-1,2-diene is CC(F)=C=CF.
What is the InChIKey of 1,3-difluorobuta-1,2-diene?
The InChIKey is SELDYAOITSGHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2/c1-4(6)2-3-5/h3H,1H3.
What are the key properties of 1,3-difluorobuta-1,2-diene?
1,3-difluorobuta-1,2-diene has a molecular weight of 90.07 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobuta-1,2-diene is sourced from PubChem (CID 174621316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).