2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride

C4H7ClF3NO2 — CID 154825637

IUPAC2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride
SMILESCl.NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2(1-8)3(9)10;/h2H,1,8H2,(H,9,10);1H
InChIKeyXJDFLKOUDSLDOJ-UHFFFAOYSA-N
MW193.55 g/mol
LogP0.63
Rot. Bonds2

About 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride

2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride (PubChem CID 154825637) has the molecular formula C4H7ClF3NO2 and a molecular weight of 193.55 g/mol. Its IUPAC name is 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride
PubChem CID154825637
Molecular FormulaC4H7ClF3NO2
Molecular Weight193.55 g/mol
Exact Mass193.01
IUPAC Name2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride
SMILESCl.NCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2(1-8)3(9)10;/h2H,1,8H2,(H,9,10);1H
InChIKeyXJDFLKOUDSLDOJ-UHFFFAOYSA-N
XLogP0.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.55
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3,3-difluorobutanoic acid
CID 105429828
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
3,3,3-trifluoro-2-(sulfanylmethyl)propanoic acid
CID 15311141
(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 86654985
4,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 58559804
2-(trifluoromethyl)pentanoic acid
CID 20539748
(3-amino-1,1,1-trifluoropropan-2-yl)carbamic acid
CID 89486717
3,3,3-trifluoro-2-(methylsulfinylmethyl)propanoic acid
CID 80997534
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
2-[(3-ethylpentan-3-ylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103253838
(2S)-2-benzyl-3,3,3-trifluoropropanoic acid
CID 101484262
3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid
CID 103238257

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride (CID 154825637) is 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride is Cl.NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride?
The InChIKey is XJDFLKOUDSLDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2.ClH/c5-4(6,7)2(1-8)3(9)10;/h2H,1,8H2,(H,9,10);1H.
What are the key properties of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride?
2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride has a molecular weight of 193.55 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride is sourced from PubChem (CID 154825637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).