2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene

C14H11ClFNO3 — CID 43443680

IUPAC2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1COc1ccccc1CCl
InChIInChI=1S/C14H11ClFNO3/c15-8-10-3-1-2-4-14(10)20-9-11-7-12(16)5-6-13(11)17(18)19/h1-7H,8-9H2
InChIKeyZAPIJAIOBWWYGV-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.05
Rot. Bonds5

About 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene

2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene (PubChem CID 43443680) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene.

Molecular Properties

Compound Name2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
PubChem CID43443680
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)cc1COc1ccccc1CCl
InChIInChI=1S/C14H11ClFNO3/c15-8-10-3-1-2-4-14(10)20-9-11-7-12(16)5-6-13(11)17(18)19/h1-7H,8-9H2
InChIKeyZAPIJAIOBWWYGV-UHFFFAOYSA-N
XLogP4.05
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
1-(chloromethyl)-2-[(5-fluoro-2-nitrophenyl)methoxy]-3-methylbenzene
CID 115956495
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
2-(3-chloropropyl)-4-fluoro-1-nitrobenzene
CID 118818885
3-fluoro-4-[(5-fluoro-2-nitrophenyl)methoxy]benzonitrile
CID 103792151

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene?
The IUPAC name of 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene (CID 43443680) is 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene.
What is the SMILES notation for 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene?
The canonical SMILES for 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene is O=[N+]([O-])c1ccc(F)cc1COc1ccccc1CCl.
What is the InChIKey of 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene?
The InChIKey is ZAPIJAIOBWWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-8-10-3-1-2-4-14(10)20-9-11-7-12(16)5-6-13(11)17(18)19/h1-7H,8-9H2.
What are the key properties of 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene?
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene has a molecular weight of 295.70 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene is sourced from PubChem (CID 43443680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).