1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene

C7H4BrF2NO3 — CID 118852889

IUPAC1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1OCF
InChIInChI=1S/C7H4BrF2NO3/c8-4-1-6(11(12)13)7(14-3-9)2-5(4)10/h1-2H,3H2
InChIKeyCZRBZZSYOUSQIP-UHFFFAOYSA-N
MW268.01 g/mol
LogP2.80
Rot. Bonds3

About 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene

1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene (PubChem CID 118852889) has the molecular formula C7H4BrF2NO3 and a molecular weight of 268.01 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
PubChem CID118852889
Molecular FormulaC7H4BrF2NO3
Molecular Weight268.01 g/mol
Exact Mass266.93
IUPAC Name1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1OCF
InChIInChI=1S/C7H4BrF2NO3/c8-4-1-6(11(12)13)7(14-3-9)2-5(4)10/h1-2H,3H2
InChIKeyCZRBZZSYOUSQIP-UHFFFAOYSA-N
XLogP2.80
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 52.80
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-bromo-2-fluoro-5-(fluoromethoxy)-4-nitrobenzene
CID 118807797
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
1-bromo-5-fluoro-4-(fluoromethoxy)-2-nitrobenzene
CID 118847379
2-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylethanamine
CID 66110128
1-bromo-2-fluoro-5-nitro-4-tetradecoxybenzene
CID 175497603
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
CID 103483313
1-(4-bromo-5-fluoro-2-nitrophenoxy)butan-2-one
CID 103483442
3-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpropan-1-amine
CID 103483520
6-(4-bromo-5-fluoro-2-nitrophenoxy)hexan-3-one
CID 106802191
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224
2-[(4-bromo-5-fluoro-2-nitrophenoxy)methyl]-3,3-dimethylbutane-1-thiol
CID 103484405
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonyl chloride
CID 103484203

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene?
The IUPAC name of 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene (CID 118852889) is 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene?
The canonical SMILES for 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene is O=[N+]([O-])c1cc(Br)c(F)cc1OCF.
What is the InChIKey of 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene?
The InChIKey is CZRBZZSYOUSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO3/c8-4-1-6(11(12)13)7(14-3-9)2-5(4)10/h1-2H,3H2.
What are the key properties of 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene?
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene has a molecular weight of 268.01 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene is sourced from PubChem (CID 118852889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).