1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C9H16F2N2 — CID 130719293

IUPAC1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2CCN(CC(F)F)C2C1
InChIInChI=1S/C9H16F2N2/c1-12-4-7-2-3-13(6-9(10)11)8(7)5-12/h7-9H,2-6H2,1H3
InChIKeyWGLCAONDMLJTEZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.89
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 130719293) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID130719293
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2CCN(CC(F)F)C2C1
InChIInChI=1S/C9H16F2N2/c1-12-4-7-2-3-13(6-9(10)11)8(7)5-12/h7-9H,2-6H2,1H3
InChIKeyWGLCAONDMLJTEZ-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine
CID 126708796
1-Fluoro-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 151897210
3-[(3-Fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine
CID 162741953
3,3-Difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 166797058
(4R)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine
CID 166869683
(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine
CID 166869688
1,2,2-Trimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine
CID 166870190
(4R)-1-tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylpyrrolidine
CID 168820323
(4S)-1-tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylpyrrolidine
CID 168820338
1-Tert-butyl-2,2-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrrolidine
CID 168820897
1-Tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylpyrrolidine
CID 169937733
(2S)-1-tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrrolidine
CID 169938762

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 130719293) is 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1CC2CCN(CC(F)F)C2C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is WGLCAONDMLJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-4-7-2-3-13(6-9(10)11)8(7)5-12/h7-9H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 190.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 130719293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).