2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone

C16H16FNO — CID 69364569

IUPAC2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone
SMILESCCCc1cccc(C(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H16FNO/c1-2-4-14-5-3-6-15(18-14)16(19)11-12-7-9-13(17)10-8-12/h3,5-10H,2,4,11H2,1H3
InChIKeyNGQSYKSWSYDCJW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone

2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone (PubChem CID 69364569) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone
PubChem CID69364569
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone
SMILESCCCc1cccc(C(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H16FNO/c1-2-4-14-5-3-6-15(18-14)16(19)11-12-7-9-13(17)10-8-12/h3,5-10H,2,4,11H2,1H3
InChIKeyNGQSYKSWSYDCJW-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone (CID 69364569) is 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone is CCCc1cccc(C(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone?
The InChIKey is NGQSYKSWSYDCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-2-4-14-5-3-6-15(18-14)16(19)11-12-7-9-13(17)10-8-12/h3,5-10H,2,4,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone?
2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(6-propyl-2-pyridinyl)ethanone is sourced from PubChem (CID 69364569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).