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

C11H19F3N2O2 — CID 115294286

IUPAC4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-2-5-16(8-11(12,13)14)9(17)10(15)3-6-18-7-4-10/h2-8,15H2,1H3
InChIKeySHJZTQUAXGAPMS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.30
Rot. Bonds4

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

4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 115294286) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID115294286
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-2-5-16(8-11(12,13)14)9(17)10(15)3-6-18-7-4-10/h2-8,15H2,1H3
InChIKeySHJZTQUAXGAPMS-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 115294286) is 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is SHJZTQUAXGAPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-5-16(8-11(12,13)14)9(17)10(15)3-6-18-7-4-10/h2-8,15H2,1H3.
What are the key properties of 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).