1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone

C15H14FNO2 — CID 29006281

IUPAC1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1OCCc1ccccn1
InChIInChI=1S/C15H14FNO2/c1-11(18)15-13(16)6-4-7-14(15)19-10-8-12-5-2-3-9-17-12/h2-7,9H,8,10H2,1H3
InChIKeyBPQWHXIIXSLTGB-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone

1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone (PubChem CID 29006281) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
PubChem CID29006281
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1OCCc1ccccn1
InChIInChI=1S/C15H14FNO2/c1-11(18)15-13(16)6-4-7-14(15)19-10-8-12-5-2-3-9-17-12/h2-7,9H,8,10H2,1H3
InChIKeyBPQWHXIIXSLTGB-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 72933823
2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 114289600
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone (CID 29006281) is 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone is CC(=O)c1c(F)cccc1OCCc1ccccn1.
What is the InChIKey of 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone?
The InChIKey is BPQWHXIIXSLTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11(18)15-13(16)6-4-7-14(15)19-10-8-12-5-2-3-9-17-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone?
1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone has a molecular weight of 259.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 29006281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).