(4-fluorophenyl)-(2-methylindolizin-3-yl)methanone

C16H12FNO — CID 2311706

IUPAC(4-fluorophenyl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO/c1-11-10-14-4-2-3-9-18(14)15(11)16(19)12-5-7-13(17)8-6-12/h2-10H,1H3
InChIKeyWCJJNJLHVWJQDO-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.62
Rot. Bonds2

About (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone

(4-fluorophenyl)-(2-methylindolizin-3-yl)methanone (PubChem CID 2311706) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methylindolizin-3-yl)methanone
PubChem CID2311706
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(4-fluorophenyl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO/c1-11-10-14-4-2-3-9-18(14)15(11)16(19)12-5-7-13(17)8-6-12/h2-10H,1H3
InChIKeyWCJJNJLHVWJQDO-UHFFFAOYSA-N
XLogP3.62
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone (CID 2311706) is (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone is Cc1cc2ccccn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone?
The InChIKey is WCJJNJLHVWJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-11-10-14-4-2-3-9-18(14)15(11)16(19)12-5-7-13(17)8-6-12/h2-10H,1H3.
What are the key properties of (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone?
(4-fluorophenyl)-(2-methylindolizin-3-yl)methanone has a molecular weight of 253.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-methylindolizin-3-yl)methanone is sourced from PubChem (CID 2311706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).