N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride

C12H22Cl2F3N3O2 — CID 119854716

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(CC(F)(F)F)C1)C1CNCCO1
InChIInChI=1S/C12H20F3N3O2.2ClH/c13-12(14,15)8-18-3-1-9(7-18)5-17-11(19)10-6-16-2-4-20-10;;/h9-10,16H,1-8H2,(H,17,19);2*1H
InChIKeyTVEGPBHRNAZMJL-UHFFFAOYSA-N
MW368.23 g/mol
LogP0.82
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119854716) has the molecular formula C12H22Cl2F3N3O2 and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119854716
Molecular FormulaC12H22Cl2F3N3O2
Molecular Weight368.23 g/mol
Exact Mass367.10
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(CC(F)(F)F)C1)C1CNCCO1
InChIInChI=1S/C12H20F3N3O2.2ClH/c13-12(14,15)8-18-3-1-9(7-18)5-17-11(19)10-6-16-2-4-20-10;;/h9-10,16H,1-8H2,(H,17,19);2*1H
InChIKeyTVEGPBHRNAZMJL-UHFFFAOYSA-N
XLogP0.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119866991
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
(2S)-N-(cyclobutylmethyl)morpholine-2-carboxamide;hydrochloride
CID 131065842
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119862653
4-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 60856640
N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119750312
N-[(3-hydroxycyclopentyl)methyl]morpholine-2-carboxamide
CID 106134080
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119898772
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854673
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119864049
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride (CID 119854716) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCN(CC(F)(F)F)C1)C1CNCCO1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is TVEGPBHRNAZMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2.2ClH/c13-12(14,15)8-18-3-1-9(7-18)5-17-11(19)10-6-16-2-4-20-10;;/h9-10,16H,1-8H2,(H,17,19);2*1H.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 368.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119854716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).