methyl 3-amino-2,2-difluoropropanoate;hydrochloride

C4H8ClF2NO2 — CID 22635305

IUPACmethyl 3-amino-2,2-difluoropropanoate;hydrochloride
SMILESCOC(=O)C(F)(F)CN.Cl
InChIInChI=1S/C4H7F2NO2.ClH/c1-9-3(8)4(5,6)2-7;/h2,7H2,1H3;1H
InChIKeyNWTLQCSNWJKRIV-UHFFFAOYSA-N
MW175.56 g/mol
LogP0.18
Rot. Bonds2

About methyl 3-amino-2,2-difluoropropanoate;hydrochloride

methyl 3-amino-2,2-difluoropropanoate;hydrochloride (PubChem CID 22635305) has the molecular formula C4H8ClF2NO2 and a molecular weight of 175.56 g/mol. Its IUPAC name is methyl 3-amino-2,2-difluoropropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2,2-difluoropropanoate;hydrochloride
PubChem CID22635305
Molecular FormulaC4H8ClF2NO2
Molecular Weight175.56 g/mol
Exact Mass175.02
IUPAC Namemethyl 3-amino-2,2-difluoropropanoate;hydrochloride
SMILESCOC(=O)C(F)(F)CN.Cl
InChIInChI=1S/C4H7F2NO2.ClH/c1-9-3(8)4(5,6)2-7;/h2,7H2,1H3;1H
InChIKeyNWTLQCSNWJKRIV-UHFFFAOYSA-N
XLogP0.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.56
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-aminopropanoate hydrochloride
CID 2734767
Methyl 3-amino-4,4,4-trifluorobutanoate
CID 10855938
Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride
CID 44717682
Ethyl 3-amino-2,2-difluoropropanoate hydrochloride
CID 49853527
Methyl 3-amino-2-fluoropropanoate hydrochloride
CID 76026949
Ethyl 3-amino-2,2-difluoropropanoate
CID 49853528
Methyl 3-[(2,2,2-trifluoroethyl)amino]propanoate hydrochloride
CID 75481303
Ethyl 2,2-difluoro-3-(methylamino)propanoate hydrochloride
CID 86222877
Methyl 3-amino-2-(trifluoromethyl)propanoate hydrochloride
CID 90489749
Methyl 3-amino-2-fluoro-2-methylpropanoate hydrochloride
CID 105434995
methyl (2S)-3-amino-2-fluoropropanoate hydrochloride
CID 126797021
Methyl2,2-difluoro-3-(methylamino)propanoatehydrochloride
CID 155943463

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,2-difluoropropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2,2-difluoropropanoate;hydrochloride (CID 22635305) is methyl 3-amino-2,2-difluoropropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2,2-difluoropropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2,2-difluoropropanoate;hydrochloride is COC(=O)C(F)(F)CN.Cl.
What is the InChIKey of methyl 3-amino-2,2-difluoropropanoate;hydrochloride?
The InChIKey is NWTLQCSNWJKRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2.ClH/c1-9-3(8)4(5,6)2-7;/h2,7H2,1H3;1H.
What are the key properties of methyl 3-amino-2,2-difluoropropanoate;hydrochloride?
methyl 3-amino-2,2-difluoropropanoate;hydrochloride has a molecular weight of 175.56 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,2-difluoropropanoate;hydrochloride is sourced from PubChem (CID 22635305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).