2-fluoro-3-methylbut-1-ene

C5H9F — CID 18719532

IUPAC2-fluoro-3-methylbut-1-ene
SMILESC=C(F)C(C)C
InChIInChI=1S/C5H9F/c1-4(2)5(3)6/h4H,3H2,1-2H3
InChIKeyNSPSHZZZNJMFNW-UHFFFAOYSA-N
MW88.12 g/mol
LogP2.13
Rot. Bonds1

About 2-fluoro-3-methylbut-1-ene

2-fluoro-3-methylbut-1-ene (PubChem CID 18719532) has the molecular formula C5H9F and a molecular weight of 88.12 g/mol. Its IUPAC name is 2-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name2-fluoro-3-methylbut-1-ene
PubChem CID18719532
Molecular FormulaC5H9F
Molecular Weight88.12 g/mol
Exact Mass88.07
IUPAC Name2-fluoro-3-methylbut-1-ene
SMILESC=C(F)C(C)C
InChIInChI=1S/C5H9F/c1-4(2)5(3)6/h4H,3H2,1-2H3
InChIKeyNSPSHZZZNJMFNW-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.12
LogP ≤ 52.13
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-1-ene?
The IUPAC name of 2-fluoro-3-methylbut-1-ene (CID 18719532) is 2-fluoro-3-methylbut-1-ene.
What is the SMILES notation for 2-fluoro-3-methylbut-1-ene?
The canonical SMILES for 2-fluoro-3-methylbut-1-ene is C=C(F)C(C)C.
What is the InChIKey of 2-fluoro-3-methylbut-1-ene?
The InChIKey is NSPSHZZZNJMFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F/c1-4(2)5(3)6/h4H,3H2,1-2H3.
What are the key properties of 2-fluoro-3-methylbut-1-ene?
2-fluoro-3-methylbut-1-ene has a molecular weight of 88.12 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 18719532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).