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

C4H7ClF3NO2 — CID 14825460

IUPACmethyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride
SMILESCOC(=O)C(N)C(F)(F)F.Cl
InChIInChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H
InChIKeyHFMMPCAGCWNDCW-UHFFFAOYSA-N
MW193.55 g/mol
LogP0.47
Rot. Bonds1

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

methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride (PubChem CID 14825460) has the molecular formula C4H7ClF3NO2 and a molecular weight of 193.55 g/mol. Its IUPAC name is methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride
PubChem CID14825460
Molecular FormulaC4H7ClF3NO2
Molecular Weight193.55 g/mol
Exact Mass193.01
IUPAC Namemethyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride
SMILESCOC(=O)C(N)C(F)(F)F.Cl
InChIInChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H
InChIKeyHFMMPCAGCWNDCW-UHFFFAOYSA-N
XLogP0.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.55
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride (CID 14825460) is methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride is COC(=O)C(N)C(F)(F)F.Cl.
What is the InChIKey of methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride?
The InChIKey is HFMMPCAGCWNDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H.
What are the key properties of methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride?
methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride has a molecular weight of 193.55 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3,3-trifluoropropanoate;hydrochloride is sourced from PubChem (CID 14825460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).