4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C9H15F3N2 — CID 66209230

IUPAC4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-6-8-3-13-2-7(8)4-14(6)5-9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyDFYLRSDAILEZQM-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.09
Rot. Bonds1

About 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209230) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209230
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-6-8-3-13-2-7(8)4-14(6)5-9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyDFYLRSDAILEZQM-UHFFFAOYSA-N
XLogP1.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209230) is 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1CC(F)(F)F.
What is the InChIKey of 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is DFYLRSDAILEZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-6-8-3-13-2-7(8)4-14(6)5-9(10,11)12/h6-8,13H,2-5H2,1H3.
What are the key properties of 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 208.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).