3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride

C14H10ClFN2O — CID 21495656

IUPAC3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride
SMILESCc1c([N+]#N)cccc1C(=O)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H10FN2O.ClH/c1-9-12(3-2-4-13(9)17-16)14(18)10-5-7-11(15)8-6-10;/h2-8H,1H3;1H/q+1;/p-1
InChIKeyPMZIAFWYQPPVKF-UHFFFAOYSA-M
MW276.70 g/mol
LogP0.85
Rot. Bonds2

About 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride

3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride (PubChem CID 21495656) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride
PubChem CID21495656
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride
SMILESCc1c([N+]#N)cccc1C(=O)c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H10FN2O.ClH/c1-9-12(3-2-4-13(9)17-16)14(18)10-5-7-11(15)8-6-10;/h2-8H,1H3;1H/q+1;/p-1
InChIKeyPMZIAFWYQPPVKF-UHFFFAOYSA-M
XLogP0.85
TPSA45.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorobenzoyl)-2-methylbenzenediazonium
CID 21495657
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
2-(4-fluorobenzoyl)benzoate
CID 5082940
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
CID 13193099
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
CID 105078698
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride?
The IUPAC name of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride (CID 21495656) is 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride is Cc1c([N+]#N)cccc1C(=O)c1ccc(F)cc1.[Cl-].
What is the InChIKey of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride?
The InChIKey is PMZIAFWYQPPVKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10FN2O.ClH/c1-9-12(3-2-4-13(9)17-16)14(18)10-5-7-11(15)8-6-10;/h2-8H,1H3;1H/q+1;/p-1.
What are the key properties of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride?
3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride has a molecular weight of 276.70 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-2-methylbenzenediazonium chloride is sourced from PubChem (CID 21495656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).