[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride

C11H18ClF3N2O2 — CID 119800778

IUPAC[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCC(O)(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C11H17F3N2O2.ClH/c1-9(2-4-15-6-9)8(17)16-5-3-10(18,7-16)11(12,13)14;/h15,18H,2-7H2,1H3;1H
InChIKeyWQPOWENMDIRVCN-UHFFFAOYSA-N
MW302.72 g/mol
LogP0.93
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride (PubChem CID 119800778) has the molecular formula C11H18ClF3N2O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
PubChem CID119800778
Molecular FormulaC11H18ClF3N2O2
Molecular Weight302.72 g/mol
Exact Mass302.10
IUPAC Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
SMILESCC1(C(=O)N2CCC(O)(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C11H17F3N2O2.ClH/c1-9(2-4-15-6-9)8(17)16-5-3-10(18,7-16)11(12,13)14;/h15,18H,2-7H2,1H3;1H
InChIKeyWQPOWENMDIRVCN-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;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

(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800753
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119800798
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
CID 130524196
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride (CID 119800778) is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride is CC1(C(=O)N2CCC(O)(C(F)(F)F)C2)CCNC1.Cl.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The InChIKey is WQPOWENMDIRVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2.ClH/c1-9(2-4-15-6-9)8(17)16-5-3-10(18,7-16)11(12,13)14;/h15,18H,2-7H2,1H3;1H.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride has a molecular weight of 302.72 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119800778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).