4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene

C14H11ClFNO3 — CID 155534061

IUPAC4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
SMILESO=[N+]([O-])c1ccc(COCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H11ClFNO3/c15-12-4-3-11(14(16)7-12)9-20-8-10-1-5-13(6-2-10)17(18)19/h1-7H,8-9H2
InChIKeyVIEGUJJAVTURQU-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.10
Rot. Bonds5

About 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene

4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene (PubChem CID 155534061) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
PubChem CID155534061
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
SMILESO=[N+]([O-])c1ccc(COCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H11ClFNO3/c15-12-4-3-11(14(16)7-12)9-20-8-10-1-5-13(6-2-10)17(18)19/h1-7H,8-9H2
InChIKeyVIEGUJJAVTURQU-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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-chloro-1-(chloromethoxymethyl)-2-fluorobenzene
CID 166609586
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
4-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-1-nitrobenzene
CID 114850357
1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
CID 107348744
N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoro-4-nitroaniline
CID 114842224
4-chloro-2-[(4-nitrophenyl)methoxy]benzoic acid
CID 45418753
2-[(4-bromophenyl)methoxymethyl]-4-nitroaniline
CID 82832055
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106
5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124394
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
CID 62343808
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene (CID 155534061) is 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene is O=[N+]([O-])c1ccc(COCc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene?
The InChIKey is VIEGUJJAVTURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-12-4-3-11(14(16)7-12)9-20-8-10-1-5-13(6-2-10)17(18)19/h1-7H,8-9H2.
What are the key properties of 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene?
4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene has a molecular weight of 295.70 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene is sourced from PubChem (CID 155534061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).