5-amino-6,6-difluorohexanoic acid

C6H11F2NO2 — CID 20543336

IUPAC5-amino-6,6-difluorohexanoic acid
SMILESNC(CCCC(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)4(9)2-1-3-5(10)11/h4,6H,1-3,9H2,(H,10,11)
InChIKeyQOQVCDMWAXCSHL-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.83
Rot. Bonds5

About 5-amino-6,6-difluorohexanoic acid

5-amino-6,6-difluorohexanoic acid (PubChem CID 20543336) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-amino-6,6-difluorohexanoic acid.

Molecular Properties

Compound Name5-amino-6,6-difluorohexanoic acid
PubChem CID20543336
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name5-amino-6,6-difluorohexanoic acid
SMILESNC(CCCC(=O)O)C(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)4(9)2-1-3-5(10)11/h4,6H,1-3,9H2,(H,10,11)
InChIKeyQOQVCDMWAXCSHL-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-6,6-difluorohexanoic 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 5-amino-6,6-difluorohexanoic acid?
The IUPAC name of 5-amino-6,6-difluorohexanoic acid (CID 20543336) is 5-amino-6,6-difluorohexanoic acid.
What is the SMILES notation for 5-amino-6,6-difluorohexanoic acid?
The canonical SMILES for 5-amino-6,6-difluorohexanoic acid is NC(CCCC(=O)O)C(F)F.
What is the InChIKey of 5-amino-6,6-difluorohexanoic acid?
The InChIKey is QOQVCDMWAXCSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)4(9)2-1-3-5(10)11/h4,6H,1-3,9H2,(H,10,11).
What are the key properties of 5-amino-6,6-difluorohexanoic acid?
5-amino-6,6-difluorohexanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,6-difluorohexanoic acid is sourced from PubChem (CID 20543336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).