methyl (E)-4-fluoropent-2-enoate

C6H9FO2 — CID 10534695

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

About methyl (E)-4-fluoropent-2-enoate

methyl (E)-4-fluoropent-2-enoate (PubChem CID 10534695) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is methyl (E)-4-fluoropent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-fluoropent-2-enoate
PubChem CID10534695
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Namemethyl (E)-4-fluoropent-2-enoate
SMILESCOC(=O)/C=C/C(C)F
InChIInChI=1S/C6H9FO2/c1-5(7)3-4-6(8)9-2/h3-5H,1-2H3/b4-3+
InChIKeyLBQDRWXXJUJXGC-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-fluoropent-2-enoate?
The IUPAC name of methyl (E)-4-fluoropent-2-enoate (CID 10534695) is methyl (E)-4-fluoropent-2-enoate.
What is the SMILES notation for methyl (E)-4-fluoropent-2-enoate?
The canonical SMILES for methyl (E)-4-fluoropent-2-enoate is COC(=O)/C=C/C(C)F.
What is the InChIKey of methyl (E)-4-fluoropent-2-enoate?
The InChIKey is LBQDRWXXJUJXGC-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9FO2/c1-5(7)3-4-6(8)9-2/h3-5H,1-2H3/b4-3+.
What are the key properties of methyl (E)-4-fluoropent-2-enoate?
methyl (E)-4-fluoropent-2-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)-4-fluoropent-2-enoate is sourced from PubChem (CID 10534695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).