4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide

C9H15F3N2O3 — CID 66235683

IUPAC4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-16-2-1-14-8(15)6-3-17-4-7(6)13/h6-7H,1-5,13H2,(H,14,15)
InChIKeyRPJCCWOTVHFZCQ-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.34
Rot. Bonds5

About 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide

4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide (PubChem CID 66235683) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
PubChem CID66235683
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-16-2-1-14-8(15)6-3-17-4-7(6)13/h6-7H,1-5,13H2,(H,14,15)
InChIKeyRPJCCWOTVHFZCQ-UHFFFAOYSA-N
XLogP-0.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide (CID 66235683) is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
The InChIKey is RPJCCWOTVHFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)5-16-2-1-14-8(15)6-3-17-4-7(6)13/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide has a molecular weight of 256.22 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).