2-[fluoromethyl(methyl)amino]acetic acid

C4H8FNO2 — CID 87673073

IUPAC2-[fluoromethyl(methyl)amino]acetic acid
SMILESCN(CF)CC(=O)O
InChIInChI=1S/C4H8FNO2/c1-6(3-5)2-4(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyWAVWSNOFWCPBAG-UHFFFAOYSA-N
MW121.11 g/mol
LogP-0.07
Rot. Bonds3

About 2-[fluoromethyl(methyl)amino]acetic acid

2-[fluoromethyl(methyl)amino]acetic acid (PubChem CID 87673073) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is 2-[fluoromethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[fluoromethyl(methyl)amino]acetic acid
PubChem CID87673073
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Name2-[fluoromethyl(methyl)amino]acetic acid
SMILESCN(CF)CC(=O)O
InChIInChI=1S/C4H8FNO2/c1-6(3-5)2-4(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyWAVWSNOFWCPBAG-UHFFFAOYSA-N
XLogP-0.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
2-[carboxymethyl(methyl)amino]acetic acid;bis(dihydroxy(oxo)phosphanium)
CID 88765663
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
CID 175832916
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430

Frequently Asked Questions

What is the IUPAC name of 2-[fluoromethyl(methyl)amino]acetic acid?
The IUPAC name of 2-[fluoromethyl(methyl)amino]acetic acid (CID 87673073) is 2-[fluoromethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[fluoromethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[fluoromethyl(methyl)amino]acetic acid is CN(CF)CC(=O)O.
What is the InChIKey of 2-[fluoromethyl(methyl)amino]acetic acid?
The InChIKey is WAVWSNOFWCPBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c1-6(3-5)2-4(7)8/h2-3H2,1H3,(H,7,8).
What are the key properties of 2-[fluoromethyl(methyl)amino]acetic acid?
2-[fluoromethyl(methyl)amino]acetic acid has a molecular weight of 121.11 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoromethyl(methyl)amino]acetic acid is sourced from PubChem (CID 87673073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).