2-fluoro-3-methylbut-2-ene

C5H9F — CID 20723941

IUPAC2-fluoro-3-methylbut-2-ene
SMILESCC(C)=C(C)F
InChIInChI=1S/C5H9F/c1-4(2)5(3)6/h1-3H3
InChIKeyNOMDHIWJYVRCNL-UHFFFAOYSA-N
MW88.12 g/mol
LogP2.27
Rot. Bonds

About 2-fluoro-3-methylbut-2-ene

2-fluoro-3-methylbut-2-ene (PubChem CID 20723941) has the molecular formula C5H9F and a molecular weight of 88.12 g/mol. Its IUPAC name is 2-fluoro-3-methylbut-2-ene.

Molecular Properties

Compound Name2-fluoro-3-methylbut-2-ene
PubChem CID20723941
Molecular FormulaC5H9F
Molecular Weight88.12 g/mol
Exact Mass88.07
IUPAC Name2-fluoro-3-methylbut-2-ene
SMILESCC(C)=C(C)F
InChIInChI=1S/C5H9F/c1-4(2)5(3)6/h1-3H3
InChIKeyNOMDHIWJYVRCNL-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.12
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylbut-2-ene?
The IUPAC name of 2-fluoro-3-methylbut-2-ene (CID 20723941) is 2-fluoro-3-methylbut-2-ene.
What is the SMILES notation for 2-fluoro-3-methylbut-2-ene?
The canonical SMILES for 2-fluoro-3-methylbut-2-ene is CC(C)=C(C)F.
What is the InChIKey of 2-fluoro-3-methylbut-2-ene?
The InChIKey is NOMDHIWJYVRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F/c1-4(2)5(3)6/h1-3H3.
What are the key properties of 2-fluoro-3-methylbut-2-ene?
2-fluoro-3-methylbut-2-ene has a molecular weight of 88.12 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylbut-2-ene is sourced from PubChem (CID 20723941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).