4-amino-2-(2,2-difluoroethoxy)butanoic acid

C6H11F2NO3 — CID 82009326

IUPAC4-amino-2-(2,2-difluoroethoxy)butanoic acid
SMILESNCCC(OCC(F)F)C(=O)O
InChIInChI=1S/C6H11F2NO3/c7-5(8)3-12-4(1-2-9)6(10)11/h4-5H,1-3,9H2,(H,10,11)
InChIKeyHAKGKXJMLOMXMW-UHFFFAOYSA-N
MW183.15 g/mol
LogP0.07
Rot. Bonds6

About 4-amino-2-(2,2-difluoroethoxy)butanoic acid

4-amino-2-(2,2-difluoroethoxy)butanoic acid (PubChem CID 82009326) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is 4-amino-2-(2,2-difluoroethoxy)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(2,2-difluoroethoxy)butanoic acid
PubChem CID82009326
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name4-amino-2-(2,2-difluoroethoxy)butanoic acid
SMILESNCCC(OCC(F)F)C(=O)O
InChIInChI=1S/C6H11F2NO3/c7-5(8)3-12-4(1-2-9)6(10)11/h4-5H,1-3,9H2,(H,10,11)
InChIKeyHAKGKXJMLOMXMW-UHFFFAOYSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-difluoroethoxy)butanoic acid?
The IUPAC name of 4-amino-2-(2,2-difluoroethoxy)butanoic acid (CID 82009326) is 4-amino-2-(2,2-difluoroethoxy)butanoic acid.
What is the SMILES notation for 4-amino-2-(2,2-difluoroethoxy)butanoic acid?
The canonical SMILES for 4-amino-2-(2,2-difluoroethoxy)butanoic acid is NCCC(OCC(F)F)C(=O)O.
What is the InChIKey of 4-amino-2-(2,2-difluoroethoxy)butanoic acid?
The InChIKey is HAKGKXJMLOMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3/c7-5(8)3-12-4(1-2-9)6(10)11/h4-5H,1-3,9H2,(H,10,11).
What are the key properties of 4-amino-2-(2,2-difluoroethoxy)butanoic acid?
4-amino-2-(2,2-difluoroethoxy)butanoic acid has a molecular weight of 183.15 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-difluoroethoxy)butanoic acid is sourced from PubChem (CID 82009326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).