(1Z)-1,2-difluorobuta-1,3-diene

C4H4F2 — CID 18317121

IUPAC(1Z)-1,2-difluorobuta-1,3-diene
SMILESC=C/C(F)=C/F
InChIInChI=1S/C4H4F2/c1-2-4(6)3-5/h2-3H,1H2/b4-3-
InChIKeyIRDNPJBRNZMWDK-ARJAWSKDSA-N
MW90.07 g/mol
LogP1.95
Rot. Bonds1

About (1Z)-1,2-difluorobuta-1,3-diene

(1Z)-1,2-difluorobuta-1,3-diene (PubChem CID 18317121) has the molecular formula C4H4F2 and a molecular weight of 90.07 g/mol. Its IUPAC name is (1Z)-1,2-difluorobuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-1,2-difluorobuta-1,3-diene
PubChem CID18317121
Molecular FormulaC4H4F2
Molecular Weight90.07 g/mol
Exact Mass90.03
IUPAC Name(1Z)-1,2-difluorobuta-1,3-diene
SMILESC=C/C(F)=C/F
InChIInChI=1S/C4H4F2/c1-2-4(6)3-5/h2-3H,1H2/b4-3-
InChIKeyIRDNPJBRNZMWDK-ARJAWSKDSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.07
LogP ≤ 51.95
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-Fluorobuta-1,3-diene
CID 551655
2-Butene, 1,4-difluoro-
CID 6433179
1,1-Difluoro-1,3-butadiene
CID 11506444
1-Fluoro-1,3-butadiene
CID 53915310
Fluorobutadiene
CID 11378441
5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
trans,trans-1,4-Difluorobutadiene
CID 22465951
1,4-Difluorobuta-1,3-diene
CID 71359695
cis,cis-1,4-Difluoro-1,3-butadiene
CID 92017310
(e,z)-1,4-Difluoro-1,3-butadiene
CID 100998743
(E)-1,4-difluorobut-2-ene
CID 9847
(3E)-1,1,4-trifluorobuta-1,3-diene
CID 18927928

Frequently Asked Questions

What is the IUPAC name of (1Z)-1,2-difluorobuta-1,3-diene?
The IUPAC name of (1Z)-1,2-difluorobuta-1,3-diene (CID 18317121) is (1Z)-1,2-difluorobuta-1,3-diene.
What is the SMILES notation for (1Z)-1,2-difluorobuta-1,3-diene?
The canonical SMILES for (1Z)-1,2-difluorobuta-1,3-diene is C=C/C(F)=C/F.
What is the InChIKey of (1Z)-1,2-difluorobuta-1,3-diene?
The InChIKey is IRDNPJBRNZMWDK-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H4F2/c1-2-4(6)3-5/h2-3H,1H2/b4-3-.
What are the key properties of (1Z)-1,2-difluorobuta-1,3-diene?
(1Z)-1,2-difluorobuta-1,3-diene has a molecular weight of 90.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2-difluorobuta-1,3-diene is sourced from PubChem (CID 18317121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).