2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid

C6H10F3NO3 — CID 95396548

IUPAC2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid
SMILESNC[C@@H](COCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4(1-10)2-13-3-5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1
InChIKeyVUMXBZASHLTAHM-BYPYZUCNSA-N
MW201.14 g/mol
LogP0.22
Rot. Bonds5

About 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid

2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid (PubChem CID 95396548) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid
PubChem CID95396548
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid
SMILESNC[C@@H](COCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4(1-10)2-13-3-5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1
InChIKeyVUMXBZASHLTAHM-BYPYZUCNSA-N
XLogP0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid?
The IUPAC name of 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid (CID 95396548) is 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid?
The canonical SMILES for 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid is NC[C@@H](COCC(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid?
The InChIKey is VUMXBZASHLTAHM-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)4(1-10)2-13-3-5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1.
What are the key properties of 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid?
2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(aminomethyl)-3,3,3-trifluoropropoxy]acetic acid is sourced from PubChem (CID 95396548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).