4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one

C15H14FNO — CID 72723470

IUPAC4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one
SMILESCC(=O)CCc1cc(F)ccc1-c1ccccn1
InChIInChI=1S/C15H14FNO/c1-11(18)5-6-12-10-13(16)7-8-14(12)15-4-2-3-9-17-15/h2-4,7-10H,5-6H2,1H3
InChIKeyLACDFHLDYVTZFP-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.41
Rot. Bonds4

About 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one

4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one (PubChem CID 72723470) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one
PubChem CID72723470
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one
SMILESCC(=O)CCc1cc(F)ccc1-c1ccccn1
InChIInChI=1S/C15H14FNO/c1-11(18)5-6-12-10-13(16)7-8-14(12)15-4-2-3-9-17-15/h2-4,7-10H,5-6H2,1H3
InChIKeyLACDFHLDYVTZFP-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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Related Compounds

4-[2-(5-fluoro-2-pyridinyl)phenyl]butan-2-one
CID 72723759
4-[3-(3-oxobutyl)azulen-1-yl]butan-2-one
CID 23624505
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
(5-methyl-2-pyridin-2-ylphenyl)methanol
CID 132605733
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
CID 153405908
(5-formyl-2-pyridin-2-ylphenyl) acetate
CID 132544858
N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 114060229
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
CID 72723755

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one?
The IUPAC name of 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one (CID 72723470) is 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one.
What is the SMILES notation for 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one?
The canonical SMILES for 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one is CC(=O)CCc1cc(F)ccc1-c1ccccn1.
What is the InChIKey of 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one?
The InChIKey is LACDFHLDYVTZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11(18)5-6-12-10-13(16)7-8-14(12)15-4-2-3-9-17-15/h2-4,7-10H,5-6H2,1H3.
What are the key properties of 4-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one?
4-(5-fluoro-2-pyridin-2-ylphenyl)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-(5-fluoro-2-pyridin-2-ylphenyl)butan-2-one is sourced from PubChem (CID 72723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).