4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid

C10H14F4N2O4 — CID 106295084

IUPAC4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCC(F)(F)C(F)F)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H14F4N2O4/c11-6(12)10(13,14)5-15-8(19)16-9(7(17)18)1-3-20-4-2-9/h6H,1-5H2,(H,17,18)(H2,15,16,19)
InChIKeyXGFPMQLBRZFWLS-UHFFFAOYSA-N
MW302.22 g/mol
LogP0.82
Rot. Bonds5

About 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid

4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid (PubChem CID 106295084) has the molecular formula C10H14F4N2O4 and a molecular weight of 302.22 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid
PubChem CID106295084
Molecular FormulaC10H14F4N2O4
Molecular Weight302.22 g/mol
Exact Mass302.09
IUPAC Name4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCC(F)(F)C(F)F)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H14F4N2O4/c11-6(12)10(13,14)5-15-8(19)16-9(7(17)18)1-3-20-4-2-9/h6H,1-5H2,(H,17,18)(H2,15,16,19)
InChIKeyXGFPMQLBRZFWLS-UHFFFAOYSA-N
XLogP0.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid (CID 106295084) is 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid is O=C(NCC(F)(F)C(F)F)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid?
The InChIKey is XGFPMQLBRZFWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2O4/c11-6(12)10(13,14)5-15-8(19)16-9(7(17)18)1-3-20-4-2-9/h6H,1-5H2,(H,17,18)(H2,15,16,19).
What are the key properties of 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid?
4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid has a molecular weight of 302.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 106295084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).