3-(dimethylamino)-2,2-difluoropropanoic acid

C5H9F2NO2 — CID 84649708

IUPAC3-(dimethylamino)-2,2-difluoropropanoic acid
SMILESCN(C)CC(F)(F)C(=O)O
InChIInChI=1S/C5H9F2NO2/c1-8(2)3-5(6,7)4(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyYKQFAFDNQMKKST-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.27
Rot. Bonds3

About 3-(dimethylamino)-2,2-difluoropropanoic acid

3-(dimethylamino)-2,2-difluoropropanoic acid (PubChem CID 84649708) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-difluoropropanoic acid
PubChem CID84649708
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name3-(dimethylamino)-2,2-difluoropropanoic acid
SMILESCN(C)CC(F)(F)C(=O)O
InChIInChI=1S/C5H9F2NO2/c1-8(2)3-5(6,7)4(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyYKQFAFDNQMKKST-UHFFFAOYSA-N
XLogP0.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)propanoic acid
CID 239828
N,N-Diethyl-beta-alanine
CID 247454
3-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)
CID 201603
3-(Dimethylamino)propanoic acid hydrochloride
CID 11586327
Methylbetaine
CID 192884
(2-Carboxyethyl)trimethylazanium bromide
CID 71346876
3-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875
3-[Bis(trifluoromethyl)amino] propionic acid
CID 57920862
2,2-Difluoro-3-(methylamino)propanoic acid hydrochloride
CID 73553978
3-(Dimethylamino)-2,2-difluoropropanoic acid hydrochloride
CID 155821089
2-[(Diethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 13637580
3-[Ethyl(methyl)amino]propanoic acid
CID 17910357

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(dimethylamino)-2,2-difluoropropanoic acid (CID 84649708) is 3-(dimethylamino)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(dimethylamino)-2,2-difluoropropanoic acid is CN(C)CC(F)(F)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2,2-difluoropropanoic acid?
The InChIKey is YKQFAFDNQMKKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-8(2)3-5(6,7)4(9)10/h3H2,1-2H3,(H,9,10).
What are the key properties of 3-(dimethylamino)-2,2-difluoropropanoic acid?
3-(dimethylamino)-2,2-difluoropropanoic acid has a molecular weight of 153.13 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-difluoropropanoic acid is sourced from PubChem (CID 84649708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).