2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

C13H13F3N2 — CID 123786574

IUPAC2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFc1cccc(F)c1C1N=C2CCNCC2C1F
InChIInChI=1S/C13H13F3N2/c14-8-2-1-3-9(15)11(8)13-12(16)7-6-17-5-4-10(7)18-13/h1-3,7,12-13,17H,4-6H2
InChIKeyMNSMKUVFWGVJSD-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.41
Rot. Bonds1

About 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 123786574) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID123786574
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESFc1cccc(F)c1C1N=C2CCNCC2C1F
InChIInChI=1S/C13H13F3N2/c14-8-2-1-3-9(15)11(8)13-12(16)7-6-17-5-4-10(7)18-13/h1-3,7,12-13,17H,4-6H2
InChIKeyMNSMKUVFWGVJSD-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 123786574) is 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is Fc1cccc(F)c1C1N=C2CCNCC2C1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is MNSMKUVFWGVJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c14-8-2-1-3-9(15)11(8)13-12(16)7-6-17-5-4-10(7)18-13/h1-3,7,12-13,17H,4-6H2.
What are the key properties of 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 254.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-fluoro-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123786574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).