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

C4H6F3NO2 — CID 2782221

IUPAC2-(aminomethyl)-3,3,3-trifluoropropanoic acid
SMILESNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)2(1-8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKeyJTVNVXKFDGVLJA-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.21
Rot. Bonds2

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

2-(aminomethyl)-3,3,3-trifluoropropanoic acid (PubChem CID 2782221) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-(aminomethyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3,3,3-trifluoropropanoic acid
PubChem CID2782221
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-(aminomethyl)-3,3,3-trifluoropropanoic acid
SMILESNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)2(1-8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKeyJTVNVXKFDGVLJA-UHFFFAOYSA-N
XLogP0.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid (CID 2782221) is 2-(aminomethyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3,3,3-trifluoropropanoic acid is NCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is JTVNVXKFDGVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)2(1-8)3(9)10/h2H,1,8H2,(H,9,10).
What are the key properties of 2-(aminomethyl)-3,3,3-trifluoropropanoic acid?
2-(aminomethyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 157.09 g/mol, XLogP of 0.21, 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 is sourced from PubChem (CID 2782221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).