[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride

C11H15ClF6N2O2 — CID 119794386

IUPAC[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C11H14F6N2O2.ClH/c12-10(13,14)9(11(15,16)17)1-3-19(6-9)8(20)7-5-21-4-2-18-7;/h7,18H,1-6H2;1H
InChIKeyCRJGIFAILAQVNV-UHFFFAOYSA-N
MW356.69 g/mol
LogP1.74
Rot. Bonds1

About [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride

[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119794386) has the molecular formula C11H15ClF6N2O2 and a molecular weight of 356.69 g/mol. Its IUPAC name is [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119794386
Molecular FormulaC11H15ClF6N2O2
Molecular Weight356.69 g/mol
Exact Mass356.07
IUPAC Name[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C11H14F6N2O2.ClH/c12-10(13,14)9(11(15,16)17)1-3-19(6-9)8(20)7-5-21-4-2-18-7;/h7,18H,1-6H2;1H
InChIKeyCRJGIFAILAQVNV-UHFFFAOYSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119800759
2-azaspiro[4.5]decan-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119805300
(2,2-dimethylmorpholin-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119732358
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
morpholin-3-yl-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119729255
(2,2-dimethylazetidin-1-yl)-[(3R)-morpholin-3-yl]methanone
CID 130747772
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
morpholin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370424
[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124513213

Frequently Asked Questions

What is the IUPAC name of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119794386) is [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride is Cl.O=C(C1COCCN1)N1CCC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is CRJGIFAILAQVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2O2.ClH/c12-10(13,14)9(11(15,16)17)1-3-19(6-9)8(20)7-5-21-4-2-18-7;/h7,18H,1-6H2;1H.
What are the key properties of [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 356.69 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119794386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).