1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C11H17F3N2O2 — CID 103209596

IUPAC1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC1C2CNCC2CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-7-9-3-15-2-8(9)4-16(7)10(17)5-18-6-11(12,13)14/h7-9,15H,2-6H2,1H3
InChIKeyRALAKUGMZZCLSQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.63
Rot. Bonds3

About 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103209596) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103209596
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC1C2CNCC2CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-7-9-3-15-2-8(9)4-16(7)10(17)5-18-6-11(12,13)14/h7-9,15H,2-6H2,1H3
InChIKeyRALAKUGMZZCLSQ-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone with MolForge

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Related Compounds

4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209034
2-ethoxy-N-[rel-(3R,4S)-4-isopropyl-1-(3,3,3-trifluoropropyl)-3-pyrrolidinyl]acetamide hydrochloride
CID 72898573
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206357
N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206380
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209323
3-(2,2-difluoroethoxy)-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
CID 103209593
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103209594
3-(2,2-difluoroethoxy)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
CID 103209597
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103209598
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209600
1-(4,4-Dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209604
1-[4-(Aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103840458

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103209596) is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CC1C2CNCC2CN1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is RALAKUGMZZCLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-7-9-3-15-2-8(9)4-16(7)10(17)5-18-6-11(12,13)14/h7-9,15H,2-6H2,1H3.
What are the key properties of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 266.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103209596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).