2-(2,2,2-trifluoroethylamino)acetic acid

C4H6F3NO2 — CID 28897662

IUPAC2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)CNCC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyULINGFKOGLHDJP-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.22
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)acetic acid

2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 28897662) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID28897662
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)CNCC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyULINGFKOGLHDJP-UHFFFAOYSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Iminodiacetic acid
CID 8897
N-(trifluoroacetyl)aminoacetic acid
CID 136227
Ammoniodiacetate
CID 3614581
[(2,2,2-Trifluoroethyl)carbamoyl]formic acid
CID 43444971
2-[(2,2,2-Trifluoroethyl)amino]acetic acid hydrochloride
CID 50988793
(2,2-Difluoroethyl)glycine
CID 60922029
Trifluoroethyleglycine
CID 87094481
Trifluoromethylglycine
CID 89301426
2,2'-Azanediyldi(~2~H_2_)acetic acid
CID 71309040
2-(Methylamino)acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 17901828
N-(2-Fluoroethyl)glycine
CID 19860446
2-(2,2,2-Trifluoroethylazaniumyl)acetate
CID 28897661

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)acetic acid (CID 28897662) is 2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)CNCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is ULINGFKOGLHDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10).
What are the key properties of 2-(2,2,2-trifluoroethylamino)acetic acid?
2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 157.09 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 28897662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).