2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene

C13H9ClFNO3 — CID 7059269

IUPAC2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
InChIKeySFTHVDYRPHJAND-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene

2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene (PubChem CID 7059269) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
PubChem CID7059269
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
InChIKeySFTHVDYRPHJAND-UHFFFAOYSA-N
XLogP3.97
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.97
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

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CID 15787
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2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether
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2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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2-Chloro-1-methoxy-4-nitrobenzene
CID 21027
3-Chloro-4-(3-fluorobenzyloxy)aniline
CID 7059263
p-(Benzyloxy)nitrobenzene
CID 70842
Benzonitrile, 2-(2,4-dichlorophenoxy)-5-nitro-
CID 514833
Benzonitrile, 2-(2,6-dichlorophenoxy)-5-nitro-
CID 514835
Benzonitrile, 2-(2,5-dichlorophenoxy)-5-nitro-
CID 514837
1,3-Dichloro-2-(4-nitrophenoxy)benzene
CID 96106
1-Chloro-2-(4-nitrophenoxy)benzene
CID 16408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene?
The IUPAC name of 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene (CID 7059269) is 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene.
What is the SMILES notation for 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene?
The canonical SMILES for 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene is O=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene?
The InChIKey is SFTHVDYRPHJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2.
What are the key properties of 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene?
2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene has a molecular weight of 281.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene is sourced from PubChem (CID 7059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).