1-fluoro-3-methylbuta-1,2-diene

C5H7F — CID 174970716

IUPAC1-fluoro-3-methylbuta-1,2-diene
SMILESCC(C)=C=CF
InChIInChI=1S/C5H7F/c1-5(2)3-4-6/h4H,1-2H3
InChIKeyLTGVDZUJBZOHHV-UHFFFAOYSA-N
MW86.11 g/mol
LogP2.03
Rot. Bonds

About 1-fluoro-3-methylbuta-1,2-diene

1-fluoro-3-methylbuta-1,2-diene (PubChem CID 174970716) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 1-fluoro-3-methylbuta-1,2-diene.

Molecular Properties

Compound Name1-fluoro-3-methylbuta-1,2-diene
PubChem CID174970716
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name1-fluoro-3-methylbuta-1,2-diene
SMILESCC(C)=C=CF
InChIInChI=1S/C5H7F/c1-5(2)3-4-6/h4H,1-2H3
InChIKeyLTGVDZUJBZOHHV-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylbuta-1,2-diene?
The IUPAC name of 1-fluoro-3-methylbuta-1,2-diene (CID 174970716) is 1-fluoro-3-methylbuta-1,2-diene.
What is the SMILES notation for 1-fluoro-3-methylbuta-1,2-diene?
The canonical SMILES for 1-fluoro-3-methylbuta-1,2-diene is CC(C)=C=CF.
What is the InChIKey of 1-fluoro-3-methylbuta-1,2-diene?
The InChIKey is LTGVDZUJBZOHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-5(2)3-4-6/h4H,1-2H3.
What are the key properties of 1-fluoro-3-methylbuta-1,2-diene?
1-fluoro-3-methylbuta-1,2-diene has a molecular weight of 86.11 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylbuta-1,2-diene is sourced from PubChem (CID 174970716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).