2-[(E)-but-2-enoxy]-3-fluoropropanal

C7H11FO2 — CID 130035293

IUPAC2-[(E)-but-2-enoxy]-3-fluoropropanal
SMILESC/C=C/COC(C=O)CF
InChIInChI=1S/C7H11FO2/c1-2-3-4-10-7(5-8)6-9/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyGKRJFEYXJSUCRG-NSCUHMNNSA-N
MW146.16 g/mol
LogP1.12
Rot. Bonds5

About 2-[(E)-but-2-enoxy]-3-fluoropropanal

2-[(E)-but-2-enoxy]-3-fluoropropanal (PubChem CID 130035293) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-3-fluoropropanal.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-3-fluoropropanal
PubChem CID130035293
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-[(E)-but-2-enoxy]-3-fluoropropanal
SMILESC/C=C/COC(C=O)CF
InChIInChI=1S/C7H11FO2/c1-2-3-4-10-7(5-8)6-9/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyGKRJFEYXJSUCRG-NSCUHMNNSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-but-2-enoxy]-3-fluoropropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-3-fluoropropanal?
The IUPAC name of 2-[(E)-but-2-enoxy]-3-fluoropropanal (CID 130035293) is 2-[(E)-but-2-enoxy]-3-fluoropropanal.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-3-fluoropropanal?
The canonical SMILES for 2-[(E)-but-2-enoxy]-3-fluoropropanal is C/C=C/COC(C=O)CF.
What is the InChIKey of 2-[(E)-but-2-enoxy]-3-fluoropropanal?
The InChIKey is GKRJFEYXJSUCRG-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11FO2/c1-2-3-4-10-7(5-8)6-9/h2-3,6-7H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]-3-fluoropropanal?
2-[(E)-but-2-enoxy]-3-fluoropropanal has a molecular weight of 146.16 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-3-fluoropropanal is sourced from PubChem (CID 130035293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).