6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid

C11H19F2NO4 — CID 103205763

IUPAC6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C11H19F2NO4/c12-9(13)8-18-7-5-10(15)14-6-3-1-2-4-11(16)17/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyLRZWJNMFCLFIFG-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.42
Rot. Bonds11

About 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid

6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid (PubChem CID 103205763) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
PubChem CID103205763
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCOCC(F)F
InChIInChI=1S/C11H19F2NO4/c12-9(13)8-18-7-5-10(15)14-6-3-1-2-4-11(16)17/h9H,1-8H2,(H,14,15)(H,16,17)
InChIKeyLRZWJNMFCLFIFG-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic 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

N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
8-[8-[3-[3-[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]octanoylamino]octanoic acid
CID 118440203
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid (CID 103205763) is 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)CCOCC(F)F.
What is the InChIKey of 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid?
The InChIKey is LRZWJNMFCLFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO4/c12-9(13)8-18-7-5-10(15)14-6-3-1-2-4-11(16)17/h9H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid?
6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid has a molecular weight of 267.27 g/mol, XLogP of 1.42, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid is sourced from PubChem (CID 103205763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).