1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride

C11H20ClF3N2O — CID 120900966

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCC1(CN2CCC(O)(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-9(2-4-15-6-9)7-16-5-3-10(17,8-16)11(12,13)14;/h15,17H,2-8H2,1H3;1H
InChIKeyONKAZUDTGCAAFY-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.41
Rot. Bonds2

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 120900966) has the molecular formula C11H20ClF3N2O and a molecular weight of 288.74 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID120900966
Molecular FormulaC11H20ClF3N2O
Molecular Weight288.74 g/mol
Exact Mass288.12
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCC1(CN2CCC(O)(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-9(2-4-15-6-9)7-16-5-3-10(17,8-16)11(12,13)14;/h15,17H,2-8H2,1H3;1H
InChIKeyONKAZUDTGCAAFY-UHFFFAOYSA-N
XLogP1.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
CID 120903643
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119800778
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
CID 120903601
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120904295
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
CID 126978498

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride (CID 120900966) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride is CC1(CN2CCC(O)(C(F)(F)F)C2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is ONKAZUDTGCAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O.ClH/c1-9(2-4-15-6-9)7-16-5-3-10(17,8-16)11(12,13)14;/h15,17H,2-8H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120900966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).