2-(2,2-difluoroethylamino)acetic acid

C4H7F2NO2 — CID 60922029

IUPAC2-(2,2-difluoroethylamino)acetic acid
SMILESO=C(O)CNCC(F)F
InChIInChI=1S/C4H7F2NO2/c5-3(6)1-7-2-4(8)9/h3,7H,1-2H2,(H,8,9)
InChIKeyYFCOMGKRSHQPEM-UHFFFAOYSA-N
MW139.10 g/mol
LogP-0.07
Rot. Bonds4

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

2-(2,2-difluoroethylamino)acetic acid (PubChem CID 60922029) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)acetic acid
PubChem CID60922029
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name2-(2,2-difluoroethylamino)acetic acid
SMILESO=C(O)CNCC(F)F
InChIInChI=1S/C4H7F2NO2/c5-3(6)1-7-2-4(8)9/h3,7H,1-2H2,(H,8,9)
InChIKeyYFCOMGKRSHQPEM-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethylglycine
CID 316542
N-(trifluoroacetyl)aminoacetic acid
CID 136227
Monofluoroacetylglycine
CID 95736
2-[(2,2,2-Trifluoroethyl)amino]acetic acid hydrochloride
CID 50988793
Acetic acid, 2-[(2,2-difluoroethyl)amino]-2-oxo-
CID 75480362
(2,2,2-Trifluoroethylamino)acetic acid
CID 28897662
Trifluoroethyleglycine
CID 87094481
Trifluoromethylglycine
CID 89301426
N-ethylethanamine;2,2,2-trifluoroacetic acid
CID 13000362
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-difluoroethylamino)acetic acid?
The IUPAC name of 2-(2,2-difluoroethylamino)acetic acid (CID 60922029) is 2-(2,2-difluoroethylamino)acetic acid.
What is the SMILES notation for 2-(2,2-difluoroethylamino)acetic acid?
The canonical SMILES for 2-(2,2-difluoroethylamino)acetic acid is O=C(O)CNCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)acetic acid?
The InChIKey is YFCOMGKRSHQPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c5-3(6)1-7-2-4(8)9/h3,7H,1-2H2,(H,8,9).
What are the key properties of 2-(2,2-difluoroethylamino)acetic acid?
2-(2,2-difluoroethylamino)acetic acid has a molecular weight of 139.10 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)acetic acid is sourced from PubChem (CID 60922029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).