N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride

C13H16ClF3N2O3 — CID 119698644

IUPACN-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CNCCO1
InChIInChI=1S/C13H15F3N2O3.ClH/c14-13(15,16)8-21-10-3-1-9(2-4-10)18-12(19)11-7-17-5-6-20-11;/h1-4,11,17H,5-8H2,(H,18,19);1H
InChIKeyCPPQEGGRKDLPKO-UHFFFAOYSA-N
MW340.73 g/mol
LogP1.98
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride

N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119698644) has the molecular formula C13H16ClF3N2O3 and a molecular weight of 340.73 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119698644
Molecular FormulaC13H16ClF3N2O3
Molecular Weight340.73 g/mol
Exact Mass340.08
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CNCCO1
InChIInChI=1S/C13H15F3N2O3.ClH/c14-13(15,16)8-21-10-3-1-9(2-4-10)18-12(19)11-7-17-5-6-20-11;/h1-4,11,17H,5-8H2,(H,18,19);1H
InChIKeyCPPQEGGRKDLPKO-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119709306
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N-(4-cyclopentyloxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119714810
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
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N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]morpholine-2-carboxamide
CID 119858998
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
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CID 119698605

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119698644) is N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CNCCO1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is CPPQEGGRKDLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3.ClH/c14-13(15,16)8-21-10-3-1-9(2-4-10)18-12(19)11-7-17-5-6-20-11;/h1-4,11,17H,5-8H2,(H,18,19);1H.
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 340.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119698644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).