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

C4H6F3NO2 — CID 175603420

IUPAC2-(aminomethyl)-2,3,3-trifluoropropanoic acid
SMILESNCC(F)(C(=O)O)C(F)F
InChIInChI=1S/C4H6F3NO2/c5-2(6)4(7,1-8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKeyORNYRQQRIWDOMI-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.00
Rot. Bonds3

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

2-(aminomethyl)-2,3,3-trifluoropropanoic acid (PubChem CID 175603420) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-(aminomethyl)-2,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2,3,3-trifluoropropanoic acid
PubChem CID175603420
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-(aminomethyl)-2,3,3-trifluoropropanoic acid
SMILESNCC(F)(C(=O)O)C(F)F
InChIInChI=1S/C4H6F3NO2/c5-2(6)4(7,1-8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKeyORNYRQQRIWDOMI-UHFFFAOYSA-N
XLogP0.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Fluoro-beta-alanine
CID 13351
3-Amino-4,4,4-trifluorobutyric acid
CID 342970
(R)-3-Amino-4,4-difluorobutanoic acid
CID 11062460
3-Amino-2,2-difluoropropanoic acid hydrochloride
CID 50998843
(S)-3-Amino-4,4,4-trifluorobutanoic acid
CID 1549686
(R)-3-Amino-4,4,4-trifluorobutanoic acid
CID 1810311
3-Amino-2,2-difluoropropanoic acid
CID 2756405
alpha-Fluoro-beta-alanine, (S)-
CID 6999943
3-Amino-4,4-difluorobutanoic acid
CID 13273327
3-Amino-3-fluoropropanoic acid
CID 22311168
(S)-3-Amino-4,4-difluorobutanoic acid
CID 93518540
2-(Aminomethyl)-3,3,3-trifluoropropanoic acid hydrochloride
CID 154825637

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(aminomethyl)-2,3,3-trifluoropropanoic acid (CID 175603420) is 2-(aminomethyl)-2,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(aminomethyl)-2,3,3-trifluoropropanoic acid is NCC(F)(C(=O)O)C(F)F.
What is the InChIKey of 2-(aminomethyl)-2,3,3-trifluoropropanoic acid?
The InChIKey is ORNYRQQRIWDOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-2(6)4(7,1-8)3(9)10/h2H,1,8H2,(H,9,10).
What are the key properties of 2-(aminomethyl)-2,3,3-trifluoropropanoic acid?
2-(aminomethyl)-2,3,3-trifluoropropanoic acid has a molecular weight of 157.09 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,3,3-trifluoropropanoic acid is sourced from PubChem (CID 175603420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).