2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene

C14H11F2NO3 — CID 107662043

IUPAC2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
SMILESCc1cccc(OCc2cc(F)cc([N+](=O)[O-])c2)c1F
InChIInChI=1S/C14H11F2NO3/c1-9-3-2-4-13(14(9)16)20-8-10-5-11(15)7-12(6-10)17(18)19/h2-7H,8H2,1H3
InChIKeyHSGJMKUGUAZWCK-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.76
Rot. Bonds4

About 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene

2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene (PubChem CID 107662043) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
PubChem CID107662043
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
SMILESCc1cccc(OCc2cc(F)cc([N+](=O)[O-])c2)c1F
InChIInChI=1S/C14H11F2NO3/c1-9-3-2-4-13(14(9)16)20-8-10-5-11(15)7-12(6-10)17(18)19/h2-7H,8H2,1H3
InChIKeyHSGJMKUGUAZWCK-UHFFFAOYSA-N
XLogP3.76
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.76
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-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728
3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
CID 112649453
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
CID 115980729
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene?
The IUPAC name of 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene (CID 107662043) is 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene?
The canonical SMILES for 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene is Cc1cccc(OCc2cc(F)cc([N+](=O)[O-])c2)c1F.
What is the InChIKey of 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene?
The InChIKey is HSGJMKUGUAZWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-9-3-2-4-13(14(9)16)20-8-10-5-11(15)7-12(6-10)17(18)19/h2-7H,8H2,1H3.
What are the key properties of 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene?
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene has a molecular weight of 279.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene is sourced from PubChem (CID 107662043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).