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

C13H16ClF3N2O2 — CID 119801569

IUPACN-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1CC(F)(F)F)C1CNCCO1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)7-9-3-1-2-4-10(9)18-12(19)11-8-17-5-6-20-11;/h1-4,11,17H,5-8H2,(H,18,19);1H
InChIKeyUGJHCZKGMKNSNL-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.14
Rot. Bonds3

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

N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119801569) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119801569
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC NameN-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1CC(F)(F)F)C1CNCCO1
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)7-9-3-1-2-4-10(9)18-12(19)11-8-17-5-6-20-11;/h1-4,11,17H,5-8H2,(H,18,19);1H
InChIKeyUGJHCZKGMKNSNL-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
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CID 95896960
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119698644
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]morpholine-2-carboxamide;hydrochloride
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N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119801569) is N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1CC(F)(F)F)C1CNCCO1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is UGJHCZKGMKNSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)7-9-3-1-2-4-10(9)18-12(19)11-8-17-5-6-20-11;/h1-4,11,17H,5-8H2,(H,18,19);1H.
What are the key properties of N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119801569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).