2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone

C14H8F3NO3 — CID 65098515

IUPAC2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1c(F)cc(F)cc1F
InChIInChI=1S/C14H8F3NO3/c15-9-6-10(16)14(11(17)7-9)13(19)5-8-3-1-2-4-12(8)18(20)21/h1-4,6-7H,5H2
InChIKeyJIVUPRPXJNJAPX-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone

2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone (PubChem CID 65098515) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone
PubChem CID65098515
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1c(F)cc(F)cc1F
InChIInChI=1S/C14H8F3NO3/c15-9-6-10(16)14(11(17)7-9)13(19)5-8-3-1-2-4-12(8)18(20)21/h1-4,6-7H,5H2
InChIKeyJIVUPRPXJNJAPX-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

1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
1-(3-bromo-5-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056068
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
1-(3,4-dimethylphenyl)-2-(2-nitrophenyl)ethanone
CID 61055483
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
(2-nitrophenyl)methanol
CID 11923
1-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056069
1-(4,5-dibromothiophen-2-yl)-2-(2-nitrophenyl)ethanone
CID 80536629

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone?
The IUPAC name of 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone (CID 65098515) is 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone?
The canonical SMILES for 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone is O=C(Cc1ccccc1[N+](=O)[O-])c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone?
The InChIKey is JIVUPRPXJNJAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-9-6-10(16)14(11(17)7-9)13(19)5-8-3-1-2-4-12(8)18(20)21/h1-4,6-7H,5H2.
What are the key properties of 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone?
2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)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 2-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone is sourced from PubChem (CID 65098515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).