2-(dimethylamino)-2-fluoropropanoic acid

C5H10FNO2 — CID 19913427

IUPAC2-(dimethylamino)-2-fluoropropanoic acid
SMILESCN(C)C(C)(F)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-5(6,4(8)9)7(2)3/h1-3H3,(H,8,9)
InChIKeyLTXUPHMMMCZSAO-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.32
Rot. Bonds2

About 2-(dimethylamino)-2-fluoropropanoic acid

2-(dimethylamino)-2-fluoropropanoic acid (PubChem CID 19913427) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-(dimethylamino)-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-fluoropropanoic acid
PubChem CID19913427
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name2-(dimethylamino)-2-fluoropropanoic acid
SMILESCN(C)C(C)(F)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-5(6,4(8)9)7(2)3/h1-3H3,(H,8,9)
InChIKeyLTXUPHMMMCZSAO-UHFFFAOYSA-N
XLogP0.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-fluoropropanoic acid?
The IUPAC name of 2-(dimethylamino)-2-fluoropropanoic acid (CID 19913427) is 2-(dimethylamino)-2-fluoropropanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-fluoropropanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-fluoropropanoic acid is CN(C)C(C)(F)C(=O)O.
What is the InChIKey of 2-(dimethylamino)-2-fluoropropanoic acid?
The InChIKey is LTXUPHMMMCZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-5(6,4(8)9)7(2)3/h1-3H3,(H,8,9).
What are the key properties of 2-(dimethylamino)-2-fluoropropanoic acid?
2-(dimethylamino)-2-fluoropropanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-fluoropropanoic acid is sourced from PubChem (CID 19913427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).