3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole

C7H12F2N2 — CID 166797058

IUPAC3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESCN1CC2NCC(F)(F)C2C1
InChIInChI=1S/C7H12F2N2/c1-11-2-5-6(3-11)10-4-7(5,8)9/h5-6,10H,2-4H2,1H3
InChIKeyJTJISMSVXZKULG-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.16
Rot. Bonds

About 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole

3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole (PubChem CID 166797058) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
PubChem CID166797058
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESCN1CC2NCC(F)(F)C2C1
InChIInChI=1S/C7H12F2N2/c1-11-2-5-6(3-11)10-4-7(5,8)9/h5-6,10H,2-4H2,1H3
InChIKeyJTJISMSVXZKULG-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-octahydropyrrolo(3,4-b)pyrrole
CID 16228899
rac-(3aR,6aR)-1-methyl-octahydropyrrolo(2,3-c)pyrrole
CID 17567361
rac-(3aR,6aR)-5-methyl-octahydropyrrolo(3,4-b)pyrrole
CID 51624593
Octahydropyrrolo[3,4-b]pyrrole
CID 11815320
1-Methyloctahydropyrrolo[3,4-B]pyrrole
CID 15070001
5-Fluoromethyl-2-methyl-2,7-diazabicyclo[3.3.0]octane
CID 19100943
5-Fluoro-7-methyl-2,7-diazabicyclo[3.3.0]octane
CID 19100975
3-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole
CID 68499599
7-(1,1,1-Trifluoro-3-methylbutan-2-yl)-1,7-diazaspiro[4.4]nonane
CID 117706298
[(1S)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 118109083
1-(2,2-Difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 130719293
3a-(Fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 135346570

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The IUPAC name of 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole (CID 166797058) is 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The canonical SMILES for 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole is CN1CC2NCC(F)(F)C2C1.
What is the InChIKey of 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The InChIKey is JTJISMSVXZKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-11-2-5-6(3-11)10-4-7(5,8)9/h5-6,10H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole has a molecular weight of 162.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 166797058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).