6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

C10H19FN2 — CID 130611601

IUPAC6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CCC2CCN(CCF)CC21
InChIInChI=1S/C10H19FN2/c1-12-5-2-9-3-6-13(7-4-11)8-10(9)12/h9-10H,2-8H2,1H3
InChIKeyBQYYIEPVZINWKJ-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds2

About 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (PubChem CID 130611601) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
PubChem CID130611601
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CCC2CCN(CCF)CC21
InChIInChI=1S/C10H19FN2/c1-12-5-2-9-3-6-13(7-4-11)8-10(9)12/h9-10H,2-8H2,1H3
InChIKeyBQYYIEPVZINWKJ-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine
CID 68080074
rac-(3aR,7aS)-1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine hydrochloride
CID 92844998
6-Methyloctahydro-1H-pyrrolo[2,3-c]pyridine
CID 59170780
3-(fluoromethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 59215858
4-fluoro-1-[2-[(3R)-3-methylpyrrolidin-1-yl]ethyl]piperidine
CID 66580564
4-fluoro-1-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]piperidine
CID 68267622
4-Fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
CID 77147802
6-tert-butyl-4-fluoro-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 118901673
4-fluoro-1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 118906451
2-Ethyl-7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124117084
7,7-Difluoro-2-propan-2-yl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124118982
1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 130629155

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (CID 130611601) is 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is CN1CCC2CCN(CCF)CC21.
What is the InChIKey of 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The InChIKey is BQYYIEPVZINWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-5-2-9-3-6-13(7-4-11)8-10(9)12/h9-10H,2-8H2,1H3.
What are the key properties of 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine has a molecular weight of 186.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 130611601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).