4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

C11H17F3N2O2 — CID 115294728

IUPAC4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESNC1(C(=O)N(CC(F)(F)F)C2CC2)CCOCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-16(8-1-2-8)9(17)10(15)3-5-18-6-4-10/h8H,1-7,15H2
InChIKeyPSNMDEADZZTOKW-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.05
Rot. Bonds3

About 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 115294728) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID115294728
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESNC1(C(=O)N(CC(F)(F)F)C2CC2)CCOCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7-16(8-1-2-8)9(17)10(15)3-5-18-6-4-10/h8H,1-7,15H2
InChIKeyPSNMDEADZZTOKW-UHFFFAOYSA-N
XLogP1.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 115294728) is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is NC1(C(=O)N(CC(F)(F)F)C2CC2)CCOCC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is PSNMDEADZZTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)7-16(8-1-2-8)9(17)10(15)3-5-18-6-4-10/h8H,1-7,15H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).