2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid

C6H11F2NO3 — CID 107480780

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(F)F
InChIInChI=1S/C6H11F2NO3/c7-5(8)3-9(1-2-10)4-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyAZLPFIANLFKZJU-UHFFFAOYSA-N
MW183.15 g/mol
LogP-0.37
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid (PubChem CID 107480780) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid
PubChem CID107480780
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(F)F
InChIInChI=1S/C6H11F2NO3/c7-5(8)3-9(1-2-10)4-6(11)12/h5,10H,1-4H2,(H,11,12)
InChIKeyAZLPFIANLFKZJU-UHFFFAOYSA-N
XLogP-0.37
TPSA60.77 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 ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid (CID 107480780) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid is O=C(O)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid?
The InChIKey is AZLPFIANLFKZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3/c7-5(8)3-9(1-2-10)4-6(11)12/h5,10H,1-4H2,(H,11,12).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid has a molecular weight of 183.15 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 107480780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).