2,4-difluoro-1-(4-nitrophenoxy)benzene

C12H7F2NO3 — CID 3015409

IUPAC2,4-difluoro-1-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C12H7F2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
InChIKeyBEVUWKGENAGXJN-UHFFFAOYSA-N
MW251.19 g/mol
LogP3.67
Rot. Bonds3

About 2,4-difluoro-1-(4-nitrophenoxy)benzene

2,4-difluoro-1-(4-nitrophenoxy)benzene (PubChem CID 3015409) has the molecular formula C12H7F2NO3 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2,4-difluoro-1-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(4-nitrophenoxy)benzene
PubChem CID3015409
Molecular FormulaC12H7F2NO3
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name2,4-difluoro-1-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C12H7F2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
InChIKeyBEVUWKGENAGXJN-UHFFFAOYSA-N
XLogP3.67
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 53.67
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-(chloromethyl)-4-fluoro-1-(4-nitrophenoxy)benzene
CID 54915564
4-(chloromethyl)-2-fluoro-1-(4-nitrophenoxy)benzene
CID 54915517
5-fluoro-2-(4-nitrophenoxy)benzoic acid
CID 61032286
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
CID 61031257
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
4-(2-fluoro-4-nitrophenoxy)-N'-hydroxybenzenecarboximidamide
CID 61038210
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(4-nitrophenoxy)benzene?
The IUPAC name of 2,4-difluoro-1-(4-nitrophenoxy)benzene (CID 3015409) is 2,4-difluoro-1-(4-nitrophenoxy)benzene.
What is the SMILES notation for 2,4-difluoro-1-(4-nitrophenoxy)benzene?
The canonical SMILES for 2,4-difluoro-1-(4-nitrophenoxy)benzene is O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-1-(4-nitrophenoxy)benzene?
The InChIKey is BEVUWKGENAGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H.
What are the key properties of 2,4-difluoro-1-(4-nitrophenoxy)benzene?
2,4-difluoro-1-(4-nitrophenoxy)benzene has a molecular weight of 251.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(4-nitrophenoxy)benzene is sourced from PubChem (CID 3015409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).