4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one

C15H14FNO — CID 72723759

IUPAC4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one
SMILESCC(=O)CCc1ccccc1-c1ccc(F)cn1
InChIInChI=1S/C15H14FNO/c1-11(18)6-7-12-4-2-3-5-14(12)15-9-8-13(16)10-17-15/h2-5,8-10H,6-7H2,1H3
InChIKeyHDAXDHJMGGMPQG-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.41
Rot. Bonds4

About 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one

4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one (PubChem CID 72723759) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one
PubChem CID72723759
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one
SMILESCC(=O)CCc1ccccc1-c1ccc(F)cn1
InChIInChI=1S/C15H14FNO/c1-11(18)6-7-12-4-2-3-5-14(12)15-9-8-13(16)10-17-15/h2-5,8-10H,6-7H2,1H3
InChIKeyHDAXDHJMGGMPQG-UHFFFAOYSA-N
XLogP3.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one (CID 72723759) is 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one is CC(=O)CCc1ccccc1-c1ccc(F)cn1.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one?
The InChIKey is HDAXDHJMGGMPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11(18)6-7-12-4-2-3-5-14(12)15-9-8-13(16)10-17-15/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one?
4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one has a molecular weight of 243.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one is sourced from PubChem (CID 72723759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).