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

C10H19FN2 — CID 130629155

IUPAC1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CCC2CCN(CCF)C2C1
InChIInChI=1S/C10H19FN2/c1-12-5-2-9-3-6-13(7-4-11)10(9)8-12/h9-10H,2-8H2,1H3
InChIKeyBZYVHRKPIYJUDM-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.98
Rot. Bonds2

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

1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (PubChem CID 130629155) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
PubChem CID130629155
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CCC2CCN(CCF)C2C1
InChIInChI=1S/C10H19FN2/c1-12-5-2-9-3-6-13(7-4-11)10(9)8-12/h9-10H,2-8H2,1H3
InChIKeyBZYVHRKPIYJUDM-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (CID 130629155) is 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is CN1CCC2CCN(CCF)C2C1.
What is the InChIKey of 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The InChIKey is BZYVHRKPIYJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-5-2-9-3-6-13(7-4-11)10(9)8-12/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
1-(2-fluoroethyl)-6-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 1-(2-fluoroethyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 130629155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).