4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid

C8H11F2NO4 — CID 103513425

IUPAC4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)C(F)F
InChIInChI=1S/C8H11F2NO4/c9-5(10)6(12)11-8(7(13)14)1-3-15-4-2-8/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKeyRTMMWQVEBXFVMT-UHFFFAOYSA-N
MW223.17 g/mol
LogP0.00
Rot. Bonds3

About 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid

4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid (PubChem CID 103513425) has the molecular formula C8H11F2NO4 and a molecular weight of 223.17 g/mol. Its IUPAC name is 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid
PubChem CID103513425
Molecular FormulaC8H11F2NO4
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)C(F)F
InChIInChI=1S/C8H11F2NO4/c9-5(10)6(12)11-8(7(13)14)1-3-15-4-2-8/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKeyRTMMWQVEBXFVMT-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid (CID 103513425) is 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)C(F)F.
What is the InChIKey of 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid?
The InChIKey is RTMMWQVEBXFVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO4/c9-5(10)6(12)11-8(7(13)14)1-3-15-4-2-8/h5H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid?
4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid has a molecular weight of 223.17 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoroacetyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 103513425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).