3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol

C11H19F3N2O — CID 66209898

IUPAC3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCC1C2CNCC2CN1CC(O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-2-9-8-4-15-3-7(8)5-16(9)6-10(17)11(12,13)14/h7-10,15,17H,2-6H2,1H3
InChIKeyDFQHMQZQWIXZOM-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.84
Rot. Bonds3

About 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol

3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 66209898) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID66209898
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCC1C2CNCC2CN1CC(O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-2-9-8-4-15-3-7(8)5-16(9)6-10(17)11(12,13)14/h7-10,15,17H,2-6H2,1H3
InChIKeyDFQHMQZQWIXZOM-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
CID 66208369
5-(2-bromoprop-2-enyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209140
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 66208931
5-(2,2-difluoro-2-phenylethyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116790079
3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenylpropanoic acid
CID 66207397
1-fluoro-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 131181807
N-carbamoyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66208752
N-(cyclopropylmethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207970
N-(cyanomethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66210091
N-(2-acetamidoethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66208745
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66210096
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide
CID 114385495

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol (CID 66209898) is 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol is CCC1C2CNCC2CN1CC(O)C(F)(F)F.
What is the InChIKey of 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is DFQHMQZQWIXZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-9-8-4-15-3-7(8)5-16(9)6-10(17)11(12,13)14/h7-10,15,17H,2-6H2,1H3.
What are the key properties of 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol?
3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 252.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 66209898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).