2-(2-fluoroethylimino)butanoic acid

C6H10FNO2 — CID 170117788

IUPAC2-(2-fluoroethylimino)butanoic acid
SMILESCC/C(=N\CCF)C(=O)O
InChIInChI=1S/C6H10FNO2/c1-2-5(6(9)10)8-4-3-7/h2-4H2,1H3,(H,9,10)/b8-5+
InChIKeyWCRGGZMBWBIPOK-VMPITWQZSA-N
MW147.15 g/mol
LogP0.89
Rot. Bonds4

About 2-(2-fluoroethylimino)butanoic acid

2-(2-fluoroethylimino)butanoic acid (PubChem CID 170117788) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-(2-fluoroethylimino)butanoic acid.

Molecular Properties

Compound Name2-(2-fluoroethylimino)butanoic acid
PubChem CID170117788
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name2-(2-fluoroethylimino)butanoic acid
SMILESCC/C(=N\CCF)C(=O)O
InChIInChI=1S/C6H10FNO2/c1-2-5(6(9)10)8-4-3-7/h2-4H2,1H3,(H,9,10)/b8-5+
InChIKeyWCRGGZMBWBIPOK-VMPITWQZSA-N
XLogP0.89
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylimino)butanoic acid?
The IUPAC name of 2-(2-fluoroethylimino)butanoic acid (CID 170117788) is 2-(2-fluoroethylimino)butanoic acid.
What is the SMILES notation for 2-(2-fluoroethylimino)butanoic acid?
The canonical SMILES for 2-(2-fluoroethylimino)butanoic acid is CC/C(=N\CCF)C(=O)O.
What is the InChIKey of 2-(2-fluoroethylimino)butanoic acid?
The InChIKey is WCRGGZMBWBIPOK-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-2-5(6(9)10)8-4-3-7/h2-4H2,1H3,(H,9,10)/b8-5+.
What are the key properties of 2-(2-fluoroethylimino)butanoic acid?
2-(2-fluoroethylimino)butanoic acid has a molecular weight of 147.15 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylimino)butanoic acid is sourced from PubChem (CID 170117788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).