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

C6H10F3NO3 — CID 79258931

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4-10(1-2-11)3-5(12)13/h11H,1-4H2,(H,12,13)
InChIKeyQYROGQXKQMOMOK-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.07
Rot. Bonds5

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

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258931) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258931
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4-10(1-2-11)3-5(12)13/h11H,1-4H2,(H,12,13)
InChIKeyQYROGQXKQMOMOK-UHFFFAOYSA-N
XLogP-0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258931) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QYROGQXKQMOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)4-10(1-2-11)3-5(12)13/h11H,1-4H2,(H,12,13).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 201.14 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).