fluoro 2-methylpent-2-enoate

C6H9FO2 — CID 175402886

IUPACfluoro 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OF
InChIInChI=1S/C6H9FO2/c1-3-4-5(2)6(8)9-7/h4H,3H2,1-2H3
InChIKeyPIMKNYNFDXWABM-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.77
Rot. Bonds2

About fluoro 2-methylpent-2-enoate

fluoro 2-methylpent-2-enoate (PubChem CID 175402886) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is fluoro 2-methylpent-2-enoate.

Molecular Properties

Compound Namefluoro 2-methylpent-2-enoate
PubChem CID175402886
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Namefluoro 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OF
InChIInChI=1S/C6H9FO2/c1-3-4-5(2)6(8)9-7/h4H,3H2,1-2H3
InChIKeyPIMKNYNFDXWABM-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-methylpent-2-enoate?
The IUPAC name of fluoro 2-methylpent-2-enoate (CID 175402886) is fluoro 2-methylpent-2-enoate.
What is the SMILES notation for fluoro 2-methylpent-2-enoate?
The canonical SMILES for fluoro 2-methylpent-2-enoate is CCC=C(C)C(=O)OF.
What is the InChIKey of fluoro 2-methylpent-2-enoate?
The InChIKey is PIMKNYNFDXWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-4-5(2)6(8)9-7/h4H,3H2,1-2H3.
What are the key properties of fluoro 2-methylpent-2-enoate?
fluoro 2-methylpent-2-enoate has a molecular weight of 132.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylpent-2-enoate is sourced from PubChem (CID 175402886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).