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

C5H10ClF2NO2 — CID 155821089

IUPAC3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride
SMILESCN(C)CC(F)(F)C(=O)O.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-8(2)3-5(6,7)4(9)10;/h3H2,1-2H3,(H,9,10);1H
InChIKeySFRQEFAKSWJJNE-UHFFFAOYSA-N
MW189.59 g/mol
LogP0.69
Rot. Bonds3

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

3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride (PubChem CID 155821089) has the molecular formula C5H10ClF2NO2 and a molecular weight of 189.59 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride
PubChem CID155821089
Molecular FormulaC5H10ClF2NO2
Molecular Weight189.59 g/mol
Exact Mass189.04
IUPAC Name3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride
SMILESCN(C)CC(F)(F)C(=O)O.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-8(2)3-5(6,7)4(9)10;/h3H2,1-2H3,(H,9,10);1H
InChIKeySFRQEFAKSWJJNE-UHFFFAOYSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)propanoic acid
CID 239828
3-(Trimethylazaniumyl)propanoate--hydrogen chloride (1/1)
CID 201603
3-(Dimethylamino)propanoic acid hydrochloride
CID 11586327
N,N-diethyl-beta-alanine hydrochloride
CID 3084241
Methylbetaine
CID 192884
3-(Dimethylamino)-2-methylpropanoic acid hydrochloride
CID 44118489
3-[Ethyl(methyl)amino]propanoic acid hydrochloride
CID 44118490
3-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875
3-[Bis(trifluoromethyl)amino] propionic acid
CID 57920862
3-(Methyl(propyl)amino)propanoic acid hydrochloride
CID 50988219
2,2-Difluoro-3-(methylamino)propanoic acid hydrochloride
CID 73553978
3-((2-Carboxyethyl)(methyl)amino)propanoic acid hydrochloride
CID 117587749

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride (CID 155821089) is 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride is CN(C)CC(F)(F)C(=O)O.Cl.
What is the InChIKey of 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride?
The InChIKey is SFRQEFAKSWJJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2.ClH/c1-8(2)3-5(6,7)4(9)10;/h3H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride?
3-(dimethylamino)-2,2-difluoropropanoic acid;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of 0.69, 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;hydrochloride is sourced from PubChem (CID 155821089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).