2-(fluoromethyl)but-1-ene

C5H9F — CID 20980247

IUPAC2-(fluoromethyl)but-1-ene
SMILESC=C(CC)CF
InChIInChI=1S/C5H9F/c1-3-5(2)4-6/h2-4H2,1H3
InChIKeyOGZYUTIWWCMENH-UHFFFAOYSA-N
MW88.12 g/mol
LogP1.92
Rot. Bonds2

About 2-(fluoromethyl)but-1-ene

2-(fluoromethyl)but-1-ene (PubChem CID 20980247) has the molecular formula C5H9F and a molecular weight of 88.12 g/mol. Its IUPAC name is 2-(fluoromethyl)but-1-ene.

Molecular Properties

Compound Name2-(fluoromethyl)but-1-ene
PubChem CID20980247
Molecular FormulaC5H9F
Molecular Weight88.12 g/mol
Exact Mass88.07
IUPAC Name2-(fluoromethyl)but-1-ene
SMILESC=C(CC)CF
InChIInChI=1S/C5H9F/c1-3-5(2)4-6/h2-4H2,1H3
InChIKeyOGZYUTIWWCMENH-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)but-1-ene?
The IUPAC name of 2-(fluoromethyl)but-1-ene (CID 20980247) is 2-(fluoromethyl)but-1-ene.
What is the SMILES notation for 2-(fluoromethyl)but-1-ene?
The canonical SMILES for 2-(fluoromethyl)but-1-ene is C=C(CC)CF.
What is the InChIKey of 2-(fluoromethyl)but-1-ene?
The InChIKey is OGZYUTIWWCMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F/c1-3-5(2)4-6/h2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)but-1-ene?
2-(fluoromethyl)but-1-ene has a molecular weight of 88.12 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)but-1-ene is sourced from PubChem (CID 20980247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).