3-cyclopropyl-2-fluoro-4-methoxybutanoic acid

C8H13FO3 — CID 81358483

IUPAC3-cyclopropyl-2-fluoro-4-methoxybutanoic acid
SMILESCOCC(C1CC1)C(F)C(=O)O
InChIInChI=1S/C8H13FO3/c1-12-4-6(5-2-3-5)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyKUBOTUPBPPEMPN-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.08
Rot. Bonds5

About 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid

3-cyclopropyl-2-fluoro-4-methoxybutanoic acid (PubChem CID 81358483) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-fluoro-4-methoxybutanoic acid
PubChem CID81358483
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name3-cyclopropyl-2-fluoro-4-methoxybutanoic acid
SMILESCOCC(C1CC1)C(F)C(=O)O
InChIInChI=1S/C8H13FO3/c1-12-4-6(5-2-3-5)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyKUBOTUPBPPEMPN-UHFFFAOYSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid?
The IUPAC name of 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid (CID 81358483) is 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid?
The canonical SMILES for 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid is COCC(C1CC1)C(F)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid?
The InChIKey is KUBOTUPBPPEMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-12-4-6(5-2-3-5)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid?
3-cyclopropyl-2-fluoro-4-methoxybutanoic acid has a molecular weight of 176.19 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-fluoro-4-methoxybutanoic acid is sourced from PubChem (CID 81358483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).