1-(18F)fluoro-4-nitrobenzene;methane

C7H8FNO2 — CID 157351409

IUPAC1-(18F)fluoro-4-nitrobenzene;methane
SMILESC.O=[N+]([O-])c1ccc([18F])cc1
InChIInChI=1S/C6H4FNO2.CH4/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H;1H4/i7-1;
InChIKeyBHOQOKIZNWPYLQ-VPDICMMDSA-N
MW156.15 g/mol
LogP2.37
Rot. Bonds1

About 1-(18F)fluoro-4-nitrobenzene;methane

1-(18F)fluoro-4-nitrobenzene;methane (PubChem CID 157351409) has the molecular formula C7H8FNO2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-(18F)fluoro-4-nitrobenzene;methane.

Molecular Properties

Compound Name1-(18F)fluoro-4-nitrobenzene;methane
PubChem CID157351409
Molecular FormulaC7H8FNO2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1-(18F)fluoro-4-nitrobenzene;methane
SMILESC.O=[N+]([O-])c1ccc([18F])cc1
InChIInChI=1S/C6H4FNO2.CH4/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H;1H4/i7-1;
InChIKeyBHOQOKIZNWPYLQ-VPDICMMDSA-N
XLogP2.37
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)sulfinyl-4-nitrobenzene
CID 21200948
dimethyl propanedioate;1-fluoro-4-nitrobenzene
CID 174733848
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
CID 59711141
CID 59711141
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
1-fluoro-4-nitrobenzene;methane;bis(4-methoxyaniline);1-methoxy-4-nitrobenzene;propane
CID 159080860
1-fluoro-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036054
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
2-(4-fluorophenyl)-4-nitroaniline
CID 139699338
4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103

Frequently Asked Questions

What is the IUPAC name of 1-(18F)fluoro-4-nitrobenzene;methane?
The IUPAC name of 1-(18F)fluoro-4-nitrobenzene;methane (CID 157351409) is 1-(18F)fluoro-4-nitrobenzene;methane.
What is the SMILES notation for 1-(18F)fluoro-4-nitrobenzene;methane?
The canonical SMILES for 1-(18F)fluoro-4-nitrobenzene;methane is C.O=[N+]([O-])c1ccc([18F])cc1.
What is the InChIKey of 1-(18F)fluoro-4-nitrobenzene;methane?
The InChIKey is BHOQOKIZNWPYLQ-VPDICMMDSA-N. The full InChI is InChI=1S/C6H4FNO2.CH4/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H;1H4/i7-1;.
What are the key properties of 1-(18F)fluoro-4-nitrobenzene;methane?
1-(18F)fluoro-4-nitrobenzene;methane has a molecular weight of 156.15 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18F)fluoro-4-nitrobenzene;methane is sourced from PubChem (CID 157351409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).