(1E)-1-fluorobuta-1,3-diene

C4H5F — CID 11378441

IUPAC(1E)-1-fluorobuta-1,3-diene
SMILESC=C/C=C/F
InChIInChI=1S/C4H5F/c1-2-3-4-5/h2-4H,1H2/b4-3+
InChIKeyIGPWAITWXGQPMD-ONEGZZNKSA-N
MW72.08 g/mol
LogP1.66
Rot. Bonds1

About (1E)-1-fluorobuta-1,3-diene

(1E)-1-fluorobuta-1,3-diene (PubChem CID 11378441) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is (1E)-1-fluorobuta-1,3-diene.

Molecular Properties

Compound Name(1E)-1-fluorobuta-1,3-diene
PubChem CID11378441
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name(1E)-1-fluorobuta-1,3-diene
SMILESC=C/C=C/F
InChIInChI=1S/C4H5F/c1-2-3-4-5/h2-4H,1H2/b4-3+
InChIKeyIGPWAITWXGQPMD-ONEGZZNKSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.08
LogP ≤ 51.66
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

1,3-Butadiene
CID 7845
3-Fluoropropene
CID 69958
1,2,4-Pentatriene
CID 139187
2-Fluorobuta-1,3-diene
CID 551655
1,1-Difluoro-1,3-butadiene
CID 11506444
1-Fluoro-1,3-butadiene
CID 53915310
1,3-Butadiene, hexadeutero-, (E)-
CID 518944
trans,trans-1,4-Difluorobutadiene
CID 22465951
5-Fluoropenta-1,3-diene
CID 57090748
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

Frequently Asked Questions

What is the IUPAC name of (1E)-1-fluorobuta-1,3-diene?
The IUPAC name of (1E)-1-fluorobuta-1,3-diene (CID 11378441) is (1E)-1-fluorobuta-1,3-diene.
What is the SMILES notation for (1E)-1-fluorobuta-1,3-diene?
The canonical SMILES for (1E)-1-fluorobuta-1,3-diene is C=C/C=C/F.
What is the InChIKey of (1E)-1-fluorobuta-1,3-diene?
The InChIKey is IGPWAITWXGQPMD-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H5F/c1-2-3-4-5/h2-4H,1H2/b4-3+.
What are the key properties of (1E)-1-fluorobuta-1,3-diene?
(1E)-1-fluorobuta-1,3-diene has a molecular weight of 72.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-fluorobuta-1,3-diene is sourced from PubChem (CID 11378441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).