N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride

C11H20ClF3N2O2 — CID 119733473

IUPACN-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
SMILESCCCCN(CC(F)(F)F)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-2-3-5-16(8-11(12,13)14)10(17)9-7-15-4-6-18-9;/h9,15H,2-8H2,1H3;1H
InChIKeyYWWGEWNXFYPIAV-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.59
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride

N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119733473) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119733473
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
SMILESCCCCN(CC(F)(F)F)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-2-3-5-16(8-11(12,13)14)10(17)9-7-15-4-6-18-9;/h9,15H,2-8H2,1H3;1H
InChIKeyYWWGEWNXFYPIAV-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119676463
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N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
N-butyl-N-methyl-2-morpholin-2-ylacetamide
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CID 70404670
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 107067711
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
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4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride (CID 119733473) is N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride is CCCCN(CC(F)(F)F)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is YWWGEWNXFYPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c1-2-3-5-16(8-11(12,13)14)10(17)9-7-15-4-6-18-9;/h9,15H,2-8H2,1H3;1H.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119733473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).