2-(difluoromethyl)but-1-ene

C5H8F2 — CID 126490597

IUPAC2-(difluoromethyl)but-1-ene
SMILESC=C(CC)C(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(6)7/h5H,2-3H2,1H3
InChIKeyRODXTEWIVPFUAI-UHFFFAOYSA-N
MW106.11 g/mol
LogP2.22
Rot. Bonds2

About 2-(difluoromethyl)but-1-ene

2-(difluoromethyl)but-1-ene (PubChem CID 126490597) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 2-(difluoromethyl)but-1-ene.

Molecular Properties

Compound Name2-(difluoromethyl)but-1-ene
PubChem CID126490597
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name2-(difluoromethyl)but-1-ene
SMILESC=C(CC)C(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(6)7/h5H,2-3H2,1H3
InChIKeyRODXTEWIVPFUAI-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 52.22
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-(difluoromethyl)but-1-ene?
The IUPAC name of 2-(difluoromethyl)but-1-ene (CID 126490597) is 2-(difluoromethyl)but-1-ene.
What is the SMILES notation for 2-(difluoromethyl)but-1-ene?
The canonical SMILES for 2-(difluoromethyl)but-1-ene is C=C(CC)C(F)F.
What is the InChIKey of 2-(difluoromethyl)but-1-ene?
The InChIKey is RODXTEWIVPFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2/c1-3-4(2)5(6)7/h5H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)but-1-ene?
2-(difluoromethyl)but-1-ene has a molecular weight of 106.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)but-1-ene is sourced from PubChem (CID 126490597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).