4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one

C15H15F2NO2 — CID 103147109

IUPAC4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
SMILESO=C(CCOCC(F)F)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H15F2NO2/c16-15(17)10-20-8-7-13(19)9-12-6-5-11-3-1-2-4-14(11)18-12/h1-6,15H,7-10H2
InChIKeyZLXQYQJWSNUULM-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.02
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one

4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one (PubChem CID 103147109) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
PubChem CID103147109
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
SMILESO=C(CCOCC(F)F)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H15F2NO2/c16-15(17)10-20-8-7-13(19)9-12-6-5-11-3-1-2-4-14(11)18-12/h1-6,15H,7-10H2
InChIKeyZLXQYQJWSNUULM-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
1-quinolin-2-ylpentan-2-one
CID 28935199
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
3,3,4,4-tetrafluoro-1-quinolin-2-ylbutan-2-one
CID 114032456
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-(4-tert-butylphenyl)-4-(2,2-difluoroethoxy)butan-2-one
CID 103147080
1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
CID 20597909

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one (CID 103147109) is 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one is O=C(CCOCC(F)F)Cc1ccc2ccccc2n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one?
The InChIKey is ZLXQYQJWSNUULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-15(17)10-20-8-7-13(19)9-12-6-5-11-3-1-2-4-14(11)18-12/h1-6,15H,7-10H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one?
4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one has a molecular weight of 279.29 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 103147109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).