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

C12H21F3N2O2 — CID 115294285

IUPAC4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H21F3N2O2/c1-2-3-6-17(9-12(13,14)15)10(18)11(16)4-7-19-8-5-11/h2-9,16H2,1H3
InChIKeyXBKHIYKYEMLMRT-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.69
Rot. Bonds5

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

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 115294285) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID115294285
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H21F3N2O2/c1-2-3-6-17(9-12(13,14)15)10(18)11(16)4-7-19-8-5-11/h2-9,16H2,1H3
InChIKeyXBKHIYKYEMLMRT-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 115294285) is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is XBKHIYKYEMLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-3-6-17(9-12(13,14)15)10(18)11(16)4-7-19-8-5-11/h2-9,16H2,1H3.
What are the key properties of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).