2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid

C6H8F3NO3 — CID 89255481

IUPAC2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=CN(CCC(F)(F)F)CC(=O)O
InChIInChI=1S/C6H8F3NO3/c7-6(8,9)1-2-10(4-11)3-5(12)13/h4H,1-3H2,(H,12,13)
InChIKeyNYFANQDDDBIOPR-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.48
Rot. Bonds5

About 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid

2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid (PubChem CID 89255481) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid
PubChem CID89255481
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=CN(CCC(F)(F)F)CC(=O)O
InChIInChI=1S/C6H8F3NO3/c7-6(8,9)1-2-10(4-11)3-5(12)13/h4H,1-3H2,(H,12,13)
InChIKeyNYFANQDDDBIOPR-UHFFFAOYSA-N
XLogP0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid?
The IUPAC name of 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid (CID 89255481) is 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid.
What is the SMILES notation for 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid?
The canonical SMILES for 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid is O=CN(CCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid?
The InChIKey is NYFANQDDDBIOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c7-6(8,9)1-2-10(4-11)3-5(12)13/h4H,1-3H2,(H,12,13).
What are the key properties of 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid?
2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid has a molecular weight of 199.13 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(3,3,3-trifluoropropyl)amino]acetic acid is sourced from PubChem (CID 89255481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).