1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone

C16H16FNO — CID 130178591

IUPAC1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2F)nc(C(C)C)c1
InChIInChI=1S/C16H16FNO/c1-10(2)15-8-12(11(3)19)9-16(18-15)13-6-4-5-7-14(13)17/h4-10H,1-3H3
InChIKeyXHJQZIUSCYVMAR-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.21
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone

1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone (PubChem CID 130178591) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone
PubChem CID130178591
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2F)nc(C(C)C)c1
InChIInChI=1S/C16H16FNO/c1-10(2)15-8-12(11(3)19)9-16(18-15)13-6-4-5-7-14(13)17/h4-10H,1-3H3
InChIKeyXHJQZIUSCYVMAR-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone (CID 130178591) is 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone is CC(=O)c1cc(-c2ccccc2F)nc(C(C)C)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone?
The InChIKey is XHJQZIUSCYVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10(2)15-8-12(11(3)19)9-16(18-15)13-6-4-5-7-14(13)17/h4-10H,1-3H3.
What are the key properties of 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone?
1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone has a molecular weight of 257.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone is sourced from PubChem (CID 130178591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).