1-fluorobuta-1,2-diene

C4H5F — CID 90919618

IUPAC1-fluorobuta-1,2-diene
SMILESCC=C=CF
InChIInChI=1S/C4H5F/c1-2-3-4-5/h2,4H,1H3
InChIKeyPVBPIJMWIQIEJH-UHFFFAOYSA-N
MW72.08 g/mol
LogP1.64
Rot. Bonds

About 1-fluorobuta-1,2-diene

1-fluorobuta-1,2-diene (PubChem CID 90919618) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is 1-fluorobuta-1,2-diene.

Molecular Properties

Compound Name1-fluorobuta-1,2-diene
PubChem CID90919618
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name1-fluorobuta-1,2-diene
SMILESCC=C=CF
InChIInChI=1S/C4H5F/c1-2-3-4-5/h2,4H,1H3
InChIKeyPVBPIJMWIQIEJH-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Butadiene
CID 11535
(Z)-2-Fluoro-2-butene
CID 12756876
(E)-2-Fluoro-2-butene
CID 12756877
2-Fluorobut-2-ene
CID 20806750
1,1,1-Trifluoropenta-2,3-diene
CID 56991262
Penta-1,2,3-triene
CID 13593933
Hexatetraene
CID 11815814
1,1-Difluoropenta-2,3-diene
CID 15710922
1,1-Difluorobuta-1,2-diene
CID 20197104
4-Fluorobuta-1,2-diene
CID 22159642
1-Fluoropenta-1,2-diene
CID 56629817
1-Fluoropenta-2,3-diene
CID 56631230

Frequently Asked Questions

What is the IUPAC name of 1-fluorobuta-1,2-diene?
The IUPAC name of 1-fluorobuta-1,2-diene (CID 90919618) is 1-fluorobuta-1,2-diene.
What is the SMILES notation for 1-fluorobuta-1,2-diene?
The canonical SMILES for 1-fluorobuta-1,2-diene is CC=C=CF.
What is the InChIKey of 1-fluorobuta-1,2-diene?
The InChIKey is PVBPIJMWIQIEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F/c1-2-3-4-5/h2,4H,1H3.
What are the key properties of 1-fluorobuta-1,2-diene?
1-fluorobuta-1,2-diene has a molecular weight of 72.08 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobuta-1,2-diene is sourced from PubChem (CID 90919618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).