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

C9H16F2N2 — CID 130682687

IUPAC5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESFC(F)CN1CCC2NCCC2C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13-4-2-8-7(5-13)1-3-12-8/h7-9,12H,1-6H2
InChIKeyDSJRJGRIGXBCTD-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds2

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

5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 130682687) 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[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID130682687
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESFC(F)CN1CCC2NCCC2C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13-4-2-8-7(5-13)1-3-12-8/h7-9,12H,1-6H2
InChIKeyDSJRJGRIGXBCTD-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 131065642
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130628620
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 171466717
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581237
6-cyclopropyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[2,3-d]azepine
CID 83846587
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
3-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)butanenitrile
CID 130684748
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (CID 130682687) is 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is FC(F)CN1CCC2NCCC2C1.
What is the InChIKey of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is DSJRJGRIGXBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)6-13-4-2-8-7(5-13)1-3-12-8/h7-9,12H,1-6H2.
What are the key properties of 5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 190.24 g/mol, XLogP of 0.94, 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[3,2-c]pyridine is sourced from PubChem (CID 130682687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).