methyl (E)-2-fluoropent-3-enoate

C6H9FO2 — CID 134934364

IUPACmethyl (E)-2-fluoropent-3-enoate
SMILESC/C=C/C(F)C(=O)OC
InChIInChI=1S/C6H9FO2/c1-3-4-5(7)6(8)9-2/h3-5H,1-2H3/b4-3+
InChIKeyAQPBXSDUPYAYBV-ONEGZZNKSA-N
MW132.13 g/mol
LogP1.07
Rot. Bonds2

About methyl (E)-2-fluoropent-3-enoate

methyl (E)-2-fluoropent-3-enoate (PubChem CID 134934364) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is methyl (E)-2-fluoropent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-fluoropent-3-enoate
PubChem CID134934364
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Namemethyl (E)-2-fluoropent-3-enoate
SMILESC/C=C/C(F)C(=O)OC
InChIInChI=1S/C6H9FO2/c1-3-4-5(7)6(8)9-2/h3-5H,1-2H3/b4-3+
InChIKeyAQPBXSDUPYAYBV-ONEGZZNKSA-N
XLogP1.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (E)-2-fluoropent-3-enoate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
CID 71353603
methyl 2-formylpent-3-enoate
CID 174719827
methyl 2-ethylpent-3-enoate
CID 154241001
methyl (2R)-2-amino-3-fluoro-4-methylpentanoate
CID 131230035
methyl 2,3,3,4,4-pentafluorobutanoate
CID 20600114
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
dimethyl 2-[(Z)-but-2-enyl]propanedioate
CID 12599389
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
dimethyl 2-[(E,1R)-1-phenylbut-2-enyl]propanedioate
CID 13217835
methyl (2R,3S)-3-methyl-5-oxo-2-[(E)-prop-1-enyl]heptanoate
CID 101229604
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
methyl (2S,3R)-2-chloro-3-fluorobutanoate
CID 124708312

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-fluoropent-3-enoate?
The IUPAC name of methyl (E)-2-fluoropent-3-enoate (CID 134934364) is methyl (E)-2-fluoropent-3-enoate.
What is the SMILES notation for methyl (E)-2-fluoropent-3-enoate?
The canonical SMILES for methyl (E)-2-fluoropent-3-enoate is C/C=C/C(F)C(=O)OC.
What is the InChIKey of methyl (E)-2-fluoropent-3-enoate?
The InChIKey is AQPBXSDUPYAYBV-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-4-5(7)6(8)9-2/h3-5H,1-2H3/b4-3+.
What are the key properties of methyl (E)-2-fluoropent-3-enoate?
methyl (E)-2-fluoropent-3-enoate has a molecular weight of 132.13 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-fluoropent-3-enoate is sourced from PubChem (CID 134934364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).