1-methyl-4-nitrobenzene;hydrofluoride

C7H8FNO2 — CID 174946488

IUPAC1-methyl-4-nitrobenzene;hydrofluoride
SMILESCc1ccc([N+](=O)[O-])cc1.F
InChIInChI=1S/C7H7NO2.FH/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3;1H
InChIKeyAFJXIMSDAILRKG-UHFFFAOYSA-N
MW157.14 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-4-nitrobenzene;hydrofluoride

1-methyl-4-nitrobenzene;hydrofluoride (PubChem CID 174946488) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 1-methyl-4-nitrobenzene;hydrofluoride.

Molecular Properties

Compound Name1-methyl-4-nitrobenzene;hydrofluoride
PubChem CID174946488
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name1-methyl-4-nitrobenzene;hydrofluoride
SMILESCc1ccc([N+](=O)[O-])cc1.F
InChIInChI=1S/C7H7NO2.FH/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3;1H
InChIKeyAFJXIMSDAILRKG-UHFFFAOYSA-N
XLogP2.06
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 52.06
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

Nitrobenzene
CID 7416
2-Nitrotoluene
CID 6944
4-Nitro-1,1'-biphenyl
CID 7114
2,4,6-Trinitrotoluene
CID 8376
2-Amino-4,6-Dinitrotoluene
CID 37182
3-Nitrotoluene
CID 7422
4-Nitrotoluene
CID 7473
2,6-Dinitrotoluene
CID 11813
4-Amino-2,6-Dinitrotoluene
CID 29574
2,4-Dinitrotoluene
CID 8461
2-Methyl-5-Nitroaniline
CID 7444
4-Nitrobenzyl bromide
CID 66011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitrobenzene;hydrofluoride?
The IUPAC name of 1-methyl-4-nitrobenzene;hydrofluoride (CID 174946488) is 1-methyl-4-nitrobenzene;hydrofluoride.
What is the SMILES notation for 1-methyl-4-nitrobenzene;hydrofluoride?
The canonical SMILES for 1-methyl-4-nitrobenzene;hydrofluoride is Cc1ccc([N+](=O)[O-])cc1.F.
What is the InChIKey of 1-methyl-4-nitrobenzene;hydrofluoride?
The InChIKey is AFJXIMSDAILRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.FH/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3;1H.
What are the key properties of 1-methyl-4-nitrobenzene;hydrofluoride?
1-methyl-4-nitrobenzene;hydrofluoride has a molecular weight of 157.14 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitrobenzene;hydrofluoride is sourced from PubChem (CID 174946488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).