4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid

C7H10F3NO3 — CID 130546057

IUPAC4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid
SMILESNC1(C(=O)O)CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)4-3-6(11,5(12)13)1-2-14-4/h4H,1-3,11H2,(H,12,13)
InChIKeyGIPNGFFVJWBSLN-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.51
Rot. Bonds1

About 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid

4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid (PubChem CID 130546057) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid
PubChem CID130546057
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid
SMILESNC1(C(=O)O)CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)4-3-6(11,5(12)13)1-2-14-4/h4H,1-3,11H2,(H,12,13)
InChIKeyGIPNGFFVJWBSLN-UHFFFAOYSA-N
XLogP0.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid?
The IUPAC name of 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid (CID 130546057) is 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid is NC1(C(=O)O)CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid?
The InChIKey is GIPNGFFVJWBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)4-3-6(11,5(12)13)1-2-14-4/h4H,1-3,11H2,(H,12,13).
What are the key properties of 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid?
4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid has a molecular weight of 213.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(trifluoromethyl)oxane-4-carboxylic acid is sourced from PubChem (CID 130546057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).