5-fluoro-2-methylidenepentanoic acid

C6H9FO2 — CID 18755065

IUPAC5-fluoro-2-methylidenepentanoic acid
SMILESC=C(CCCF)C(=O)O
InChIInChI=1S/C6H9FO2/c1-5(6(8)9)3-2-4-7/h1-4H2,(H,8,9)
InChIKeyPOYVWBWJQBOFMV-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.38
Rot. Bonds4

About 5-fluoro-2-methylidenepentanoic acid

5-fluoro-2-methylidenepentanoic acid (PubChem CID 18755065) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 5-fluoro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-fluoro-2-methylidenepentanoic acid
PubChem CID18755065
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name5-fluoro-2-methylidenepentanoic acid
SMILESC=C(CCCF)C(=O)O
InChIInChI=1S/C6H9FO2/c1-5(6(8)9)3-2-4-7/h1-4H2,(H,8,9)
InChIKeyPOYVWBWJQBOFMV-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

Analyze 5-fluoro-2-methylidenepentanoic acid 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

2-Methyleneglutaric acid
CID 95155
2-Cyclopropylprop-2-enoic acid
CID 150877
2-Butyl acrylic acid
CID 168447
4-Methyl-2-methylene valeric acid
CID 168659
2-Propylacrylic acid
CID 5165043
3-Methyl-2-methylidenepentanoic acid
CID 14417127
2-Methylenehexanedioic Acid
CID 17900745
2,2-Difluoro-4-methylenepentanedioic acid
CID 66521768
2-(Difluoromethylidene)-4-methylpent-4-enoic acid
CID 123913066
3,4,4,5,5,6,6,6-Octafluoro-2-methylidenehexanoic acid
CID 17875850
3,4,4,5,6,6-Hexafluoro-2-methylidenehexanoic acid
CID 17992017
5,5,6,6,6-Pentafluoro-2-methylidenehexanoic acid
CID 18398515

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidenepentanoic acid?
The IUPAC name of 5-fluoro-2-methylidenepentanoic acid (CID 18755065) is 5-fluoro-2-methylidenepentanoic acid.
What is the SMILES notation for 5-fluoro-2-methylidenepentanoic acid?
The canonical SMILES for 5-fluoro-2-methylidenepentanoic acid is C=C(CCCF)C(=O)O.
What is the InChIKey of 5-fluoro-2-methylidenepentanoic acid?
The InChIKey is POYVWBWJQBOFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-5(6(8)9)3-2-4-7/h1-4H2,(H,8,9).
What are the key properties of 5-fluoro-2-methylidenepentanoic acid?
5-fluoro-2-methylidenepentanoic acid has a molecular weight of 132.13 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidenepentanoic acid is sourced from PubChem (CID 18755065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).