4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene

C14H11ClFNO3 — CID 107691106

IUPAC4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccc(CCl)cc2F)cc1
InChIInChI=1S/C14H11ClFNO3/c15-8-11-3-6-14(13(16)7-11)20-9-10-1-4-12(5-2-10)17(18)19/h1-7H,8-9H2
InChIKeyASDVNQDXHJAUMI-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.05
Rot. Bonds5

About 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene

4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene (PubChem CID 107691106) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
PubChem CID107691106
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2ccc(CCl)cc2F)cc1
InChIInChI=1S/C14H11ClFNO3/c15-8-11-3-6-14(13(16)7-11)20-9-10-1-4-12(5-2-10)17(18)19/h1-7H,8-9H2
InChIKeyASDVNQDXHJAUMI-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

4-(chloromethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691373
4-(chloromethyl)-2-fluoro-1-(4-nitrophenoxy)benzene
CID 54915517
1-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-2-fluorobenzene
CID 107882569
2-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468
4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
CID 61031938
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
2-(chloromethyl)-4-methyl-1-[(4-nitrophenyl)methoxy]benzene
CID 63325775
1,3-dichloro-2-[4-(chloromethyl)-2-fluorophenoxy]-5-nitrobenzene
CID 63565721
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
2-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-1-fluorobenzene
CID 103038450

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene (CID 107691106) is 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1ccc(COc2ccc(CCl)cc2F)cc1.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is ASDVNQDXHJAUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-8-11-3-6-14(13(16)7-11)20-9-10-1-4-12(5-2-10)17(18)19/h1-7H,8-9H2.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene?
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene 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 4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 107691106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).