4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene

C14H11F2NO3 — CID 2740950

IUPAC4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene
SMILESCc1cc(OCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11F2NO3/c1-9-4-13(2-3-14(9)17(18)19)20-8-10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3
InChIKeyZWVFRMRHZAPZMH-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.76
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene

4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene (PubChem CID 2740950) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene
PubChem CID2740950
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene
SMILESCc1cc(OCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11F2NO3/c1-9-4-13(2-3-14(9)17(18)19)20-8-10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3
InChIKeyZWVFRMRHZAPZMH-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The IUPAC name of 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene (CID 2740950) is 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The canonical SMILES for 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene is Cc1cc(OCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
The InChIKey is ZWVFRMRHZAPZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-9-4-13(2-3-14(9)17(18)19)20-8-10-5-11(15)7-12(16)6-10/h2-7H,8H2,1H3.
What are the key properties of 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene?
4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene 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 4-[(3,5-difluorophenyl)methoxy]-2-methyl-1-nitrobenzene is sourced from PubChem (CID 2740950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).