5-(difluoromethyl)-1,8a-dihydroindolizine

C9H9F2N — CID 166850510

IUPAC5-(difluoromethyl)-1,8a-dihydroindolizine
SMILESFC(F)C1=CC=CC2CC=CN12
InChIInChI=1S/C9H9F2N/c10-9(11)8-5-1-3-7-4-2-6-12(7)8/h1-3,5-7,9H,4H2
InChIKeyCEYNMONEKJNQGL-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.29
Rot. Bonds1

About 5-(difluoromethyl)-1,8a-dihydroindolizine

5-(difluoromethyl)-1,8a-dihydroindolizine (PubChem CID 166850510) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,8a-dihydroindolizine.

Molecular Properties

Compound Name5-(difluoromethyl)-1,8a-dihydroindolizine
PubChem CID166850510
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name5-(difluoromethyl)-1,8a-dihydroindolizine
SMILESFC(F)C1=CC=CC2CC=CN12
InChIInChI=1S/C9H9F2N/c10-9(11)8-5-1-3-7-4-2-6-12(7)8/h1-3,5-7,9H,4H2
InChIKeyCEYNMONEKJNQGL-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,8a-dihydroindolizine?
The IUPAC name of 5-(difluoromethyl)-1,8a-dihydroindolizine (CID 166850510) is 5-(difluoromethyl)-1,8a-dihydroindolizine.
What is the SMILES notation for 5-(difluoromethyl)-1,8a-dihydroindolizine?
The canonical SMILES for 5-(difluoromethyl)-1,8a-dihydroindolizine is FC(F)C1=CC=CC2CC=CN12.
What is the InChIKey of 5-(difluoromethyl)-1,8a-dihydroindolizine?
The InChIKey is CEYNMONEKJNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c10-9(11)8-5-1-3-7-4-2-6-12(7)8/h1-3,5-7,9H,4H2.
What are the key properties of 5-(difluoromethyl)-1,8a-dihydroindolizine?
5-(difluoromethyl)-1,8a-dihydroindolizine has a molecular weight of 169.17 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,8a-dihydroindolizine is sourced from PubChem (CID 166850510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).