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

C10H16ClF3N2O3 — CID 119800759

IUPAC[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3.ClH/c11-10(12,13)9(17)1-3-15(6-9)8(16)7-5-18-4-2-14-7;/h7,14,17H,1-6H2;1H
InChIKeyGYIPNOLUMCZWOR-UHFFFAOYSA-N
MW304.70 g/mol
LogP-0.08
Rot. Bonds1

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

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride (PubChem CID 119800759) has the molecular formula C10H16ClF3N2O3 and a molecular weight of 304.70 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
PubChem CID119800759
Molecular FormulaC10H16ClF3N2O3
Molecular Weight304.70 g/mol
Exact Mass304.08
IUPAC Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1COCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3.ClH/c11-10(12,13)9(17)1-3-15(6-9)8(16)7-5-18-4-2-14-7;/h7,14,17H,1-6H2;1H
InChIKeyGYIPNOLUMCZWOR-UHFFFAOYSA-N
XLogP-0.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119794386
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119333374
2-azaspiro[4.5]decan-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119805300
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
(2,2-dimethylmorpholin-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119732358
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 125118534
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
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
(2,2-dimethylazetidin-1-yl)-[(3R)-morpholin-3-yl]methanone
CID 130747772
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride (CID 119800759) is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride is Cl.O=C(C1COCCN1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
The InChIKey is GYIPNOLUMCZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3.ClH/c11-10(12,13)9(17)1-3-15(6-9)8(16)7-5-18-4-2-14-7;/h7,14,17H,1-6H2;1H.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride?
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride has a molecular weight of 304.70 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-morpholin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119800759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).