3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine

C9H16F2N2 — CID 156546245

IUPAC3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
SMILESCN1CC[C@@H](N2CCC(F)(F)C2)C1
InChIInChI=1S/C9H16F2N2/c1-12-4-2-8(6-12)13-5-3-9(10,11)7-13/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyXSYXIAGDMFMFAL-MRVPVSSYSA-N
MW190.24 g/mol
LogP1.03
Rot. Bonds1

About 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine

3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine (PubChem CID 156546245) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
PubChem CID156546245
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
SMILESCN1CC[C@@H](N2CCC(F)(F)C2)C1
InChIInChI=1S/C9H16F2N2/c1-12-4-2-8(6-12)13-5-3-9(10,11)7-13/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyXSYXIAGDMFMFAL-MRVPVSSYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
CID 122608330
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350
[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 115029305
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
CID 167292307
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine (CID 156546245) is 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine is CN1CC[C@@H](N2CCC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine?
The InChIKey is XSYXIAGDMFMFAL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-4-2-8(6-12)13-5-3-9(10,11)7-13/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine?
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine has a molecular weight of 190.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine is sourced from PubChem (CID 156546245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).