4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide

C8H13F3N2O3 — CID 115556919

IUPAC4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide
SMILESNC1(C(=O)NOCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)5-16-13-6(14)7(12)1-3-15-4-2-7/h1-5,12H2,(H,13,14)
InChIKeyNKMYNQGYNVZKPM-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.10
Rot. Bonds3

About 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide

4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide (PubChem CID 115556919) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide
PubChem CID115556919
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide
SMILESNC1(C(=O)NOCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)5-16-13-6(14)7(12)1-3-15-4-2-7/h1-5,12H2,(H,13,14)
InChIKeyNKMYNQGYNVZKPM-UHFFFAOYSA-N
XLogP0.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
CID 81339751
4-amino-N-phenylmethoxyoxane-4-carboxamide
CID 115295026
4-(2,2,2-trifluoroethoxycarbonylamino)oxane-4-carboxylic acid
CID 115291874
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
4-amino-N-[1-(hydroxymethyl)cyclopentyl]oxane-4-carboxamide
CID 113280753
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115293483
4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
CID 82722066
4-amino-N-[1-(hydroxymethyl)cyclohexyl]oxane-4-carboxamide
CID 115294821
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide (CID 115556919) is 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide is NC1(C(=O)NOCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide?
The InChIKey is NKMYNQGYNVZKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c9-8(10,11)5-16-13-6(14)7(12)1-3-15-4-2-7/h1-5,12H2,(H,13,14).
What are the key properties of 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide?
4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide has a molecular weight of 242.20 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide is sourced from PubChem (CID 115556919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).