1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone

C14H9F2NO4 — CID 60662380

IUPAC1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
SMILESO=C(COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F
InChIInChI=1S/C14H9F2NO4/c15-11-5-2-6-12(16)14(11)13(18)8-21-10-4-1-3-9(7-10)17(19)20/h1-7H,8H2
InChIKeyNDCVSDKDIDOSPY-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.13
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone

1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone (PubChem CID 60662380) has the molecular formula C14H9F2NO4 and a molecular weight of 293.22 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
PubChem CID60662380
Molecular FormulaC14H9F2NO4
Molecular Weight293.22 g/mol
Exact Mass293.05
IUPAC Name1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
SMILESO=C(COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F
InChIInChI=1S/C14H9F2NO4/c15-11-5-2-6-12(16)14(11)13(18)8-21-10-4-1-3-9(7-10)17(19)20/h1-7H,8H2
InChIKeyNDCVSDKDIDOSPY-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone
CID 27015921
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
4-[2-(3-nitrophenoxy)acetyl]benzonitrile
CID 60693124
2-(2-fluorophenoxy)-1-(3-nitrophenyl)ethanone
CID 43232239
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-nitrophenoxy)ethanone
CID 7864937
ethyl 2,5-dimethyl-4-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylate
CID 7864989
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone (CID 60662380) is 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone is O=C(COc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone?
The InChIKey is NDCVSDKDIDOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c15-11-5-2-6-12(16)14(11)13(18)8-21-10-4-1-3-9(7-10)17(19)20/h1-7H,8H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone?
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone has a molecular weight of 293.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone is sourced from PubChem (CID 60662380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).