5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

C9H16F2N2 — CID 130578184

IUPAC5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESFC(F)CN1CCC2CNCC2C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13-2-1-7-3-12-4-8(7)5-13/h7-9,12H,1-6H2
InChIKeyHUKICEHPPOVBQZ-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.79
Rot. Bonds2

About 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 130578184) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID130578184
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESFC(F)CN1CCC2CNCC2C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13-2-1-7-3-12-4-8(7)5-13/h7-9,12H,1-6H2
InChIKeyHUKICEHPPOVBQZ-UHFFFAOYSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 130578184) is 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is FC(F)CN1CCC2CNCC2C1.
What is the InChIKey of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is HUKICEHPPOVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)6-13-2-1-7-3-12-4-8(7)5-13/h7-9,12H,1-6H2.
What are the key properties of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 190.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 130578184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).