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

C10H19ClF2N2 — CID 120902688

IUPAC3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCC1(CN2CCC(F)(F)C2)CCNC1.Cl
InChIInChI=1S/C10H18F2N2.ClH/c1-9(2-4-13-6-9)7-14-5-3-10(11,12)8-14;/h13H,2-8H2,1H3;1H
InChIKeyIUISFPAFFQRPFE-UHFFFAOYSA-N
MW240.72 g/mol
LogP1.75
Rot. Bonds2

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

3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride (PubChem CID 120902688) has the molecular formula C10H19ClF2N2 and a molecular weight of 240.72 g/mol. Its IUPAC name is 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
PubChem CID120902688
Molecular FormulaC10H19ClF2N2
Molecular Weight240.72 g/mol
Exact Mass240.12
IUPAC Name3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
SMILESCC1(CN2CCC(F)(F)C2)CCNC1.Cl
InChIInChI=1S/C10H18F2N2.ClH/c1-9(2-4-13-6-9)7-14-5-3-10(11,12)8-14;/h13H,2-8H2,1H3;1H
InChIKeyIUISFPAFFQRPFE-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
CID 120903643
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120904295
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
4-[(3-methylpyrrolidin-3-yl)methyl]-1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide;hydrochloride
CID 120901713
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
(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 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride (CID 120902688) is 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride is CC1(CN2CCC(F)(F)C2)CCNC1.Cl.
What is the InChIKey of 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
The InChIKey is IUISFPAFFQRPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2.ClH/c1-9(2-4-13-6-9)7-14-5-3-10(11,12)8-14;/h13H,2-8H2,1H3;1H.
What are the key properties of 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride?
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride has a molecular weight of 240.72 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 120902688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).