3-fluoro-2-methylidenepentanoic acid

C6H9FO2 — CID 22603731

IUPAC3-fluoro-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(F)CC
InChIInChI=1S/C6H9FO2/c1-3-5(7)4(2)6(8)9/h5H,2-3H2,1H3,(H,8,9)
InChIKeyPQAOXEIGRWKYOO-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.38
Rot. Bonds3

About 3-fluoro-2-methylidenepentanoic acid

3-fluoro-2-methylidenepentanoic acid (PubChem CID 22603731) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 3-fluoro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-fluoro-2-methylidenepentanoic acid
PubChem CID22603731
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name3-fluoro-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(F)CC
InChIInChI=1S/C6H9FO2/c1-3-5(7)4(2)6(8)9/h5H,2-3H2,1H3,(H,8,9)
InChIKeyPQAOXEIGRWKYOO-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-fluoro-2-methylidenepentanoic acid?
The IUPAC name of 3-fluoro-2-methylidenepentanoic acid (CID 22603731) is 3-fluoro-2-methylidenepentanoic acid.
What is the SMILES notation for 3-fluoro-2-methylidenepentanoic acid?
The canonical SMILES for 3-fluoro-2-methylidenepentanoic acid is C=C(C(=O)O)C(F)CC.
What is the InChIKey of 3-fluoro-2-methylidenepentanoic acid?
The InChIKey is PQAOXEIGRWKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-5(7)4(2)6(8)9/h5H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-fluoro-2-methylidenepentanoic acid?
3-fluoro-2-methylidenepentanoic acid has a molecular weight of 132.13 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidenepentanoic acid is sourced from PubChem (CID 22603731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).