1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene

C20H15F2NO3 — CID 68790258

IUPAC1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene
SMILESCOc1cc(F)c(Cc2ccc(F)cc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H15F2NO3/c1-26-20-12-19(22)15(9-13-5-7-16(21)8-6-13)11-18(20)14-3-2-4-17(10-14)23(24)25/h2-8,10-12H,9H2,1H3
InChIKeyFEENEMCSOXUCCP-UHFFFAOYSA-N
MW355.34 g/mol
LogP5.14
Rot. Bonds5

About 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene

1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene (PubChem CID 68790258) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene
PubChem CID68790258
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene
SMILESCOc1cc(F)c(Cc2ccc(F)cc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H15F2NO3/c1-26-20-12-19(22)15(9-13-5-7-16(21)8-6-13)11-18(20)14-3-2-4-17(10-14)23(24)25/h2-8,10-12H,9H2,1H3
InChIKeyFEENEMCSOXUCCP-UHFFFAOYSA-N
XLogP5.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.34
LogP ≤ 55.14
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

6-[(4-fluorophenyl)methyl]-3-methoxy-2-(3-nitrophenyl)benzonitrile
CID 68788162
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
methyl 5-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxo-1H-pyridine-2-carboxylate
CID 68786234
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
6-[(4-aminophenyl)methyl]-3-methoxy-2-(3-nitrophenyl)phenol
CID 70267226
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
CID 61385585
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
3-[4-methoxy-3-(3-nitrophenyl)phenyl]butan-1-amine
CID 82542490

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene?
The IUPAC name of 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene (CID 68790258) is 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene.
What is the SMILES notation for 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene?
The canonical SMILES for 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene is COc1cc(F)c(Cc2ccc(F)cc2)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene?
The InChIKey is FEENEMCSOXUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c1-26-20-12-19(22)15(9-13-5-7-16(21)8-6-13)11-18(20)14-3-2-4-17(10-14)23(24)25/h2-8,10-12H,9H2,1H3.
What are the key properties of 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene?
1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene has a molecular weight of 355.34 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-fluorophenyl)methyl]-5-methoxy-4-(3-nitrophenyl)benzene is sourced from PubChem (CID 68790258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).