2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C8H11F2N3 — CID 84770310

IUPAC2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(F)(F)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C8H11F2N3/c1-8(9,10)7-12-5-2-3-11-4-6(5)13-7/h11H,2-4H2,1H3,(H,12,13)
InChIKeyUAZQHJKGPALDFX-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.17
Rot. Bonds1

About 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 84770310) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID84770310
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(F)(F)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C8H11F2N3/c1-8(9,10)7-12-5-2-3-11-4-6(5)13-7/h11H,2-4H2,1H3,(H,12,13)
InChIKeyUAZQHJKGPALDFX-UHFFFAOYSA-N
XLogP1.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 84770310) is 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(F)(F)c1nc2c([nH]1)CNCC2.
What is the InChIKey of 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is UAZQHJKGPALDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-8(9,10)7-12-5-2-3-11-4-6(5)13-7/h11H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 187.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 84770310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).