3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C7H11F3N2O2 — CID 64892899

IUPAC3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(F)(F)F)CCOC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-12-5(13)6(11)1-2-14-4-6/h1-4,11H2,(H,12,13)
InChIKeyCNGJSNXAQWTVMY-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.22
Rot. Bonds2

About 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64892899) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64892899
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(F)(F)F)CCOC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)3-12-5(13)6(11)1-2-14-4-6/h1-4,11H2,(H,12,13)
InChIKeyCNGJSNXAQWTVMY-UHFFFAOYSA-N
XLogP-0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64892899) is 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is NC1(C(=O)NCC(F)(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is CNGJSNXAQWTVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)3-12-5(13)6(11)1-2-14-4-6/h1-4,11H2,(H,12,13).
What are the key properties of 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 212.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).