1-(fluoromethyl)-4-nitronaphthalene

C11H8FNO2 — CID 12749164

IUPAC1-(fluoromethyl)-4-nitronaphthalene
SMILESO=[N+]([O-])c1ccc(CF)c2ccccc12
InChIInChI=1S/C11H8FNO2/c12-7-8-5-6-11(13(14)15)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKeyWUIMLYHFEJGDHZ-UHFFFAOYSA-N
MW205.19 g/mol
LogP3.22
Rot. Bonds2

About 1-(fluoromethyl)-4-nitronaphthalene

1-(fluoromethyl)-4-nitronaphthalene (PubChem CID 12749164) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-nitronaphthalene.

Molecular Properties

Compound Name1-(fluoromethyl)-4-nitronaphthalene
PubChem CID12749164
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name1-(fluoromethyl)-4-nitronaphthalene
SMILESO=[N+]([O-])c1ccc(CF)c2ccccc12
InChIInChI=1S/C11H8FNO2/c12-7-8-5-6-11(13(14)15)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKeyWUIMLYHFEJGDHZ-UHFFFAOYSA-N
XLogP3.22
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 53.22
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

N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide
CID 130276401
1-(fluoromethyl)-2,3-dimethyl-4-nitrobenzene
CID 118819005
1-nitronaphthalene;hydrate
CID 174470741
diethyl-(4-nitronaphthalen-1-yl)phosphane
CID 150138006
4-[(4-methylphenyl)sulfonylmethyl]naphthalen-1-amine;1-[(4-methylphenyl)sulfonylmethyl]-4-nitronaphthalene
CID 161055965
1-methoxy-2-nitronaphthalene
CID 10899709
formonitrile;1-nitronaphthalene
CID 174387830
1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
(1R)-2,2,2-trifluoro-1-(4-nitronaphthalen-1-yl)ethanol
CID 163696387
(2-nitrophenyl)methanol
CID 11923
azanylidyneazanium;1-nitronaphthalene;chloride
CID 23454944
1,1'-biphenyl;1-nitronaphthalene
CID 174805071

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-nitronaphthalene?
The IUPAC name of 1-(fluoromethyl)-4-nitronaphthalene (CID 12749164) is 1-(fluoromethyl)-4-nitronaphthalene.
What is the SMILES notation for 1-(fluoromethyl)-4-nitronaphthalene?
The canonical SMILES for 1-(fluoromethyl)-4-nitronaphthalene is O=[N+]([O-])c1ccc(CF)c2ccccc12.
What is the InChIKey of 1-(fluoromethyl)-4-nitronaphthalene?
The InChIKey is WUIMLYHFEJGDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-7-8-5-6-11(13(14)15)10-4-2-1-3-9(8)10/h1-6H,7H2.
What are the key properties of 1-(fluoromethyl)-4-nitronaphthalene?
1-(fluoromethyl)-4-nitronaphthalene has a molecular weight of 205.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-nitronaphthalene is sourced from PubChem (CID 12749164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).