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

C11H19F3N2 — CID 66242969

IUPAC4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-10(2)9-6-15-5-8(9)7-16(10)4-3-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyDSEOQASWXQFJRJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds2

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

4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66242969) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66242969
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-10(2)9-6-15-5-8(9)7-16(10)4-3-11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyDSEOQASWXQFJRJ-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66242969) is 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1CCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is DSEOQASWXQFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-10(2)9-6-15-5-8(9)7-16(10)4-3-11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 236.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3,3,3-trifluoropropyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66242969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).