1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone

C14H8F3NO3 — CID 79757959

IUPAC1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H8F3NO3/c15-9-3-1-8(2-4-9)7-12(19)13-10(16)5-6-11(14(13)17)18(20)21/h1-6H,7H2
InChIKeyIIEASISGVAFUGN-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone

1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 79757959) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID79757959
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H8F3NO3/c15-9-3-1-8(2-4-9)7-12(19)13-10(16)5-6-11(14(13)17)18(20)21/h1-6H,7H2
InChIKeyIIEASISGVAFUGN-UHFFFAOYSA-N
XLogP3.44
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79757958
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79758652
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
1-(2,6-difluoro-3-nitrophenyl)-2-methylsulfanylethanone
CID 79773473
2,6-difluoro-3-nitrobenzamide
CID 2780101
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
(5-bromo-1H-pyrrol-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone
CID 175523250
2,6-difluoro-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 79755848
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone (CID 79757959) is 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is IIEASISGVAFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-9-3-1-8(2-4-9)7-12(19)13-10(16)5-6-11(14(13)17)18(20)21/h1-6H,7H2.
What are the key properties of 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone?
1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 295.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-nitrophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 79757959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).