1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride

C12H19ClF6N2 — CID 120903643

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C12H18F6N2.ClH/c1-9(2-4-19-6-9)7-20-5-3-10(8-20,11(13,14)15)12(16,17)18;/h19H,2-8H2,1H3;1H
InChIKeyCATYNXHAAFKFSO-UHFFFAOYSA-N
MW340.74 g/mol
LogP3.22
Rot. Bonds2

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 120903643) has the molecular formula C12H19ClF6N2 and a molecular weight of 340.74 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID120903643
Molecular FormulaC12H19ClF6N2
Molecular Weight340.74 g/mol
Exact Mass340.11
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)CCNC1.Cl
InChIInChI=1S/C12H18F6N2.ClH/c1-9(2-4-19-6-9)7-20-5-3-10(8-20,11(13,14)15)12(16,17)18;/h19H,2-8H2,1H3;1H
InChIKeyCATYNXHAAFKFSO-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
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
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
CID 120903601
4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride
CID 120901713
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride (CID 120903643) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride is CC1(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is CATYNXHAAFKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2.ClH/c1-9(2-4-19-6-9)7-20-5-3-10(8-20,11(13,14)15)12(16,17)18;/h19H,2-8H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 340.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 120903643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).