methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride

C5H10ClF2NO2 — CID 155943463

IUPACmethyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride
SMILESCNCC(F)(F)C(=O)OC.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-8-3-5(6,7)4(9)10-2;/h8H,3H2,1-2H3;1H
InChIKeyNGUIUKKZWPSEKK-UHFFFAOYSA-N
MW189.59 g/mol
LogP0.44
Rot. Bonds3

About methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride

methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride (PubChem CID 155943463) has the molecular formula C5H10ClF2NO2 and a molecular weight of 189.59 g/mol. Its IUPAC name is methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride
PubChem CID155943463
Molecular FormulaC5H10ClF2NO2
Molecular Weight189.59 g/mol
Exact Mass189.04
IUPAC Namemethyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride
SMILESCNCC(F)(F)C(=O)OC.Cl
InChIInChI=1S/C5H9F2NO2.ClH/c1-8-3-5(6,7)4(9)10-2;/h8H,3H2,1-2H3;1H
InChIKeyNGUIUKKZWPSEKK-UHFFFAOYSA-N
XLogP0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(methylamino)propanoate
CID 12414198
Methyl 3-(methylamino)propanoate hydrochloride
CID 12414199
Ethyl 3-amino-2,2-difluoropropanoate hydrochloride
CID 49853527
Methyl 3-fluoroazetidine-3-carboxylate hydrochloride
CID 89401741
2,2-Difluoro-3-(methylamino)propanoic acid hydrochloride
CID 73553978
Methyl 3-[(2,2,2-trifluoroethyl)amino]propanoate hydrochloride
CID 75481303
Methyl 2,2-dimethyl-3-[(2,2,2-trifluoroethyl)amino]propanoate
CID 79629821
Ethyl 2,2-difluoro-3-(methylamino)propanoate hydrochloride
CID 86222877
Methyl 3-amino-2,2-difluoropropanoate hydrochloride
CID 22635305
Methyl 3-amino-2,2-difluoropropanoate
CID 22635306
(2,2-Difluoro-3-methoxy-3-oxopropyl)azanium
CID 23526553
Methyl 3-[(2,2,2-trifluoroethyl)amino]propanoate
CID 39869138

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride?
The IUPAC name of methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride (CID 155943463) is methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride is CNCC(F)(F)C(=O)OC.Cl.
What is the InChIKey of methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride?
The InChIKey is NGUIUKKZWPSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2.ClH/c1-8-3-5(6,7)4(9)10-2;/h8H,3H2,1-2H3;1H.
What are the key properties of methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride?
methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-3-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 155943463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).