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

C8H15F2NO3 — CID 107480760

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO3/c1-2-6(8(13)14)11(3-4-12)5-7(9)10/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyHBHHYOHTEZEADU-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.41
Rot. Bonds7

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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid (PubChem CID 107480760) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid
PubChem CID107480760
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCO)CC(F)F
InChIInChI=1S/C8H15F2NO3/c1-2-6(8(13)14)11(3-4-12)5-7(9)10/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyHBHHYOHTEZEADU-UHFFFAOYSA-N
XLogP0.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.41
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]butanoic acid?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid (CID 107480760) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid is CCC(C(=O)O)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid?
The InChIKey is HBHHYOHTEZEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-2-6(8(13)14)11(3-4-12)5-7(9)10/h6-7,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]butanoic acid has a molecular weight of 211.21 g/mol, XLogP of 0.41, 7 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]butanoic acid is sourced from PubChem (CID 107480760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).