2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone

C16H14F2O2 — CID 115736561

IUPAC2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(17)5-8-15(12)18/h3-9H,2,10H2,1H3
InChIKeyRZKUDZSZTFWFGQ-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.79
Rot. Bonds5

About 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone

2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone (PubChem CID 115736561) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
PubChem CID115736561
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(17)5-8-15(12)18/h3-9H,2,10H2,1H3
InChIKeyRZKUDZSZTFWFGQ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105082380
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
1-[4-[2-(2,5-difluorophenyl)-2-hydroxyethoxy]phenyl]propan-1-one
CID 109413353
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133057

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone (CID 115736561) is 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)Cc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is RZKUDZSZTFWFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(17)5-8-15(12)18/h3-9H,2,10H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone?
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 276.28 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 115736561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).