7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine

C11H18FN — CID 170422961

IUPAC7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine
SMILESCC(C)C1CCC2C=C(F)CCN21
InChIInChI=1S/C11H18FN/c1-8(2)11-4-3-10-7-9(12)5-6-13(10)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyBEHMJJMMPGKFGF-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.73
Rot. Bonds1

About 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine

7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine (PubChem CID 170422961) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine.

Molecular Properties

Compound Name7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine
PubChem CID170422961
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine
SMILESCC(C)C1CCC2C=C(F)CCN21
InChIInChI=1S/C11H18FN/c1-8(2)11-4-3-10-7-9(12)5-6-13(10)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyBEHMJJMMPGKFGF-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine?
The IUPAC name of 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine (CID 170422961) is 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine.
What is the SMILES notation for 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine?
The canonical SMILES for 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine is CC(C)C1CCC2C=C(F)CCN21.
What is the InChIKey of 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine?
The InChIKey is BEHMJJMMPGKFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)11-4-3-10-7-9(12)5-6-13(10)11/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine?
7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine has a molecular weight of 183.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine is sourced from PubChem (CID 170422961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).