4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene

C14H11BrFNO3 — CID 82824688

IUPAC4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(COCc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H11BrFNO3/c15-12-3-1-2-10(6-12)8-20-9-11-4-5-14(17(18)19)13(16)7-11/h1-7H,8-9H2
InChIKeySDCWRYMHDUGDST-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.21
Rot. Bonds5

About 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene

4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene (PubChem CID 82824688) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
PubChem CID82824688
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(COCc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H11BrFNO3/c15-12-3-1-2-10(6-12)8-20-9-11-4-5-14(17(18)19)13(16)7-11/h1-7H,8-9H2
InChIKeySDCWRYMHDUGDST-UHFFFAOYSA-N
XLogP4.21
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 54.21
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

[4-[(3-bromophenyl)methoxymethyl]-2-nitrophenyl]hydrazine
CID 82805450
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 82824297
4-bromo-1-[(3-bromophenyl)methoxy]-2-nitrobenzene
CID 65431310
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
N-[(3-bromophenyl)methyl]-3-fluoro-4-nitrobenzamide
CID 62681826
3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 79022162
N-[(3-bromophenyl)methyl]-2,3-difluoro-6-nitroaniline
CID 62534010
3-[(3-bromophenyl)methoxy]-4-nitrobenzoic acid
CID 60711490
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene?
The IUPAC name of 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene (CID 82824688) is 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene.
What is the SMILES notation for 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene?
The canonical SMILES for 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(COCc2cccc(Br)c2)cc1F.
What is the InChIKey of 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene?
The InChIKey is SDCWRYMHDUGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c15-12-3-1-2-10(6-12)8-20-9-11-4-5-14(17(18)19)13(16)7-11/h1-7H,8-9H2.
What are the key properties of 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene?
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene has a molecular weight of 340.15 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene is sourced from PubChem (CID 82824688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).