2-(trifluoromethyl)but-1-ene

C5H7F3 — CID 20793150

IUPAC2-(trifluoromethyl)but-1-ene
SMILESC=C(CC)C(F)(F)F
InChIInChI=1S/C5H7F3/c1-3-4(2)5(6,7)8/h2-3H2,1H3
InChIKeyAYOWJVNPAHULRP-UHFFFAOYSA-N
MW124.10 g/mol
LogP2.51
Rot. Bonds1

About 2-(trifluoromethyl)but-1-ene

2-(trifluoromethyl)but-1-ene (PubChem CID 20793150) has the molecular formula C5H7F3 and a molecular weight of 124.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name2-(trifluoromethyl)but-1-ene
PubChem CID20793150
Molecular FormulaC5H7F3
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Name2-(trifluoromethyl)but-1-ene
SMILESC=C(CC)C(F)(F)F
InChIInChI=1S/C5H7F3/c1-3-4(2)5(6,7)8/h2-3H2,1H3
InChIKeyAYOWJVNPAHULRP-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 52.51
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-(trifluoromethyl)but-1-ene?
The IUPAC name of 2-(trifluoromethyl)but-1-ene (CID 20793150) is 2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 2-(trifluoromethyl)but-1-ene?
The canonical SMILES for 2-(trifluoromethyl)but-1-ene is C=C(CC)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)but-1-ene?
The InChIKey is AYOWJVNPAHULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3/c1-3-4(2)5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-(trifluoromethyl)but-1-ene?
2-(trifluoromethyl)but-1-ene has a molecular weight of 124.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 20793150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).