4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide

C9H14F4N2O2 — CID 106291877

IUPAC4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCC(F)(F)C(F)F)CCOCC1
InChIInChI=1S/C9H14F4N2O2/c10-6(11)9(12,13)5-15-7(16)8(14)1-3-17-4-2-8/h6H,1-5,14H2,(H,15,16)
InChIKeyAXUYNUGMBKADLS-UHFFFAOYSA-N
MW258.21 g/mol
LogP0.51
Rot. Bonds4

About 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide

4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide (PubChem CID 106291877) has the molecular formula C9H14F4N2O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide
PubChem CID106291877
Molecular FormulaC9H14F4N2O2
Molecular Weight258.21 g/mol
Exact Mass258.10
IUPAC Name4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCC(F)(F)C(F)F)CCOCC1
InChIInChI=1S/C9H14F4N2O2/c10-6(11)9(12,13)5-15-7(16)8(14)1-3-17-4-2-8/h6H,1-5,14H2,(H,15,16)
InChIKeyAXUYNUGMBKADLS-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide (CID 106291877) is 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide is NC1(C(=O)NCC(F)(F)C(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide?
The InChIKey is AXUYNUGMBKADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O2/c10-6(11)9(12,13)5-15-7(16)8(14)1-3-17-4-2-8/h6H,1-5,14H2,(H,15,16).
What are the key properties of 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide?
4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide has a molecular weight of 258.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,3,3-tetrafluoropropyl)oxane-4-carboxamide is sourced from PubChem (CID 106291877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).