2-(trifluoromethylamino)acetic acid

C3H4F3NO2 — CID 89301426

IUPAC2-(trifluoromethylamino)acetic acid
SMILESO=C(O)CNC(F)(F)F
InChIInChI=1S/C3H4F3NO2/c4-3(5,6)7-1-2(8)9/h7H,1H2,(H,8,9)
InChIKeyDGPSXMJBNDMVBE-UHFFFAOYSA-N
MW143.06 g/mol
LogP0.18
Rot. Bonds2

About 2-(trifluoromethylamino)acetic acid

2-(trifluoromethylamino)acetic acid (PubChem CID 89301426) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is 2-(trifluoromethylamino)acetic acid.

Molecular Properties

Compound Name2-(trifluoromethylamino)acetic acid
PubChem CID89301426
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Name2-(trifluoromethylamino)acetic acid
SMILESO=C(O)CNC(F)(F)F
InChIInChI=1S/C3H4F3NO2/c4-3(5,6)7-1-2(8)9/h7H,1H2,(H,8,9)
InChIKeyDGPSXMJBNDMVBE-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Sarcosine
CID 1088
N-(trifluoroacetyl)aminoacetic acid
CID 136227
2-[(2,2,2-Trifluoroethyl)amino]acetic acid hydrochloride
CID 50988793
(2,2,2-Trifluoroethylamino)acetic acid
CID 28897662
(2,2-Difluoroethyl)glycine
CID 60922029
Sarcosine C-11
CID 73443002
Trifluoroethyleglycine
CID 87094481
Sarcosine-d3 (methyl-d3)
CID 16213596
d3-Sarcosine
CID 141242048
2-(Methylamino)acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 17901828
2-(2,2,2-Trifluoroethylazaniumyl)acetate
CID 28897661
2-(Difluorophosphanylmethylamino)acetic acid
CID 57303689

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylamino)acetic acid?
The IUPAC name of 2-(trifluoromethylamino)acetic acid (CID 89301426) is 2-(trifluoromethylamino)acetic acid.
What is the SMILES notation for 2-(trifluoromethylamino)acetic acid?
The canonical SMILES for 2-(trifluoromethylamino)acetic acid is O=C(O)CNC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylamino)acetic acid?
The InChIKey is DGPSXMJBNDMVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c4-3(5,6)7-1-2(8)9/h7H,1H2,(H,8,9).
What are the key properties of 2-(trifluoromethylamino)acetic acid?
2-(trifluoromethylamino)acetic acid has a molecular weight of 143.06 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylamino)acetic acid is sourced from PubChem (CID 89301426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).