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

C4H7ClF3NO2 — CID 50988793

IUPAC2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC(F)(F)F
InChIInChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2-8-1-3(9)10;/h8H,1-2H2,(H,9,10);1H
InChIKeyDMKRWLAXKNCPIV-UHFFFAOYSA-N
MW193.55 g/mol
LogP0.64
Rot. Bonds3

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

2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride (PubChem CID 50988793) has the molecular formula C4H7ClF3NO2 and a molecular weight of 193.55 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride
PubChem CID50988793
Molecular FormulaC4H7ClF3NO2
Molecular Weight193.55 g/mol
Exact Mass193.01
IUPAC Name2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNCC(F)(F)F
InChIInChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2-8-1-3(9)10;/h8H,1-2H2,(H,9,10);1H
InChIKeyDMKRWLAXKNCPIV-UHFFFAOYSA-N
XLogP0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.55
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(trifluoroacetyl)aminoacetic acid
CID 136227
Glycine, N-(carboxymethyl)-, hydrochloride (1:1)
CID 520358
(2,2,2-Trifluoroethylamino)acetic acid
CID 28897662
(2,2-Difluoroethyl)glycine
CID 60922029
Trifluoroethyleglycine
CID 87094481
Trifluoromethylglycine
CID 89301426
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
2-(2,2-Difluoroacetamido)acetic acid
CID 45082063
2-[(3,3,3-Trifluoropropyl)amino]acetic acid
CID 63227162
2-(1,1-Difluoropropylamino)acetic acid
CID 87094449

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride (CID 50988793) is 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride is Cl.O=C(O)CNCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride?
The InChIKey is DMKRWLAXKNCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2-8-1-3(9)10;/h8H,1-2H2,(H,9,10);1H.
What are the key properties of 2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride?
2-(2,2,2-trifluoroethylamino)acetic acid;hydrochloride has a molecular weight of 193.55 g/mol, XLogP of 0.64, 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;hydrochloride is sourced from PubChem (CID 50988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).