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

C4H5F4NO2 — CID 86635894

IUPAC2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid
SMILESNCC(F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H5F4NO2/c5-3(1-9,2(10)11)4(6,7)8/h1,9H2,(H,10,11)
InChIKeyUBWDUKMYCINRAM-UHFFFAOYSA-N
MW175.08 g/mol
LogP0.30
Rot. Bonds2

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

2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid (PubChem CID 86635894) has the molecular formula C4H5F4NO2 and a molecular weight of 175.08 g/mol. Its IUPAC name is 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid
PubChem CID86635894
Molecular FormulaC4H5F4NO2
Molecular Weight175.08 g/mol
Exact Mass175.03
IUPAC Name2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid
SMILESNCC(F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C4H5F4NO2/c5-3(1-9,2(10)11)4(6,7)8/h1,9H2,(H,10,11)
InChIKeyUBWDUKMYCINRAM-UHFFFAOYSA-N
XLogP0.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.08
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid?
The IUPAC name of 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid (CID 86635894) is 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid is NCC(F)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid?
The InChIKey is UBWDUKMYCINRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO2/c5-3(1-9,2(10)11)4(6,7)8/h1,9H2,(H,10,11).
What are the key properties of 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid?
2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid has a molecular weight of 175.08 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,3,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 86635894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).