3-fluorobuta-1,2-diene

C4H5F — CID 57113436

IUPAC3-fluorobuta-1,2-diene
SMILESC=C=C(C)F
InChIInChI=1S/C4H5F/c1-3-4(2)5/h1H2,2H3
InChIKeyQGQBYWHBOZYREB-UHFFFAOYSA-N
MW72.08 g/mol
LogP1.64
Rot. Bonds

About 3-fluorobuta-1,2-diene

3-fluorobuta-1,2-diene (PubChem CID 57113436) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is 3-fluorobuta-1,2-diene.

Molecular Properties

Compound Name3-fluorobuta-1,2-diene
PubChem CID57113436
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name3-fluorobuta-1,2-diene
SMILESC=C=C(C)F
InChIInChI=1S/C4H5F/c1-3-4(2)5/h1H2,2H3
InChIKeyQGQBYWHBOZYREB-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

2-Fluoropropene
CID 70899
6,7-Difluorohepta-1,2,3,4,5-pentaene
CID 20708571
4-Fluorobuta-1,2-diene
CID 22159642
1-Fluoropenta-2,3-diene
CID 56631230
5-Fluoropenta-1,2,3-triene
CID 56990538
8-Fluoronona-1,2,3,4,5,6,7-heptaene
CID 57679720
1-Fluorobuta-1,2-diene
CID 90919618
3,4-Difluorobuta-1,2-diene
CID 140119754
2-Fluoropenta-2,3-diene
CID 141024530
1,3-Difluorobuta-1,2-diene
CID 174621316
1-Fluoro-3-methylbuta-1,2-diene
CID 174970716
1-Fluoro-4-methylpenta-1,2,3-triene
CID 57667471

Frequently Asked Questions

What is the IUPAC name of 3-fluorobuta-1,2-diene?
The IUPAC name of 3-fluorobuta-1,2-diene (CID 57113436) is 3-fluorobuta-1,2-diene.
What is the SMILES notation for 3-fluorobuta-1,2-diene?
The canonical SMILES for 3-fluorobuta-1,2-diene is C=C=C(C)F.
What is the InChIKey of 3-fluorobuta-1,2-diene?
The InChIKey is QGQBYWHBOZYREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F/c1-3-4(2)5/h1H2,2H3.
What are the key properties of 3-fluorobuta-1,2-diene?
3-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 3-fluorobuta-1,2-diene is sourced from PubChem (CID 57113436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).