3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C10H18F2N2 — CID 170981321

IUPAC3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1CC2(F)CN(C)CC2(F)C1
InChIInChI=1S/C10H18F2N2/c1-8(2)14-6-9(11)4-13(3)5-10(9,12)7-14/h8H,4-7H2,1-3H3
InChIKeyQHLOZGUHAFIXRR-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.07
Rot. Bonds1

About 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 170981321) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID170981321
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1CC2(F)CN(C)CC2(F)C1
InChIInChI=1S/C10H18F2N2/c1-8(2)14-6-9(11)4-13(3)5-10(9,12)7-14/h8H,4-7H2,1-3H3
InChIKeyQHLOZGUHAFIXRR-UHFFFAOYSA-N
XLogP1.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118531461
(3aS,6aR)-2-methyl-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534904
5-(2,2-Difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118974515
2-Methyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185376
5-(2-Fluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 130668513
5-Tert-butyl-2-(2,2-difluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 132046526
(3aS,6aR)-5-fluoro-3a,6a-dimethyl-2-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 162382761
5-(1-fluoro-3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 163465482
(3aR,6aR)-2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170450441
(3aS)-2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170450442
(3aS,6aR)-2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170450443
Ethane;2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170614137

Frequently Asked Questions

What is the IUPAC name of 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 170981321) is 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CC(C)N1CC2(F)CN(C)CC2(F)C1.
What is the InChIKey of 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is QHLOZGUHAFIXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-8(2)14-6-9(11)4-13(3)5-10(9,12)7-14/h8H,4-7H2,1-3H3.
What are the key properties of 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 204.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-difluoro-2-methyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 170981321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).