3-(4-fluorobenzoyl)-2-methylbenzenediazonium

C14H10FN2O+ — CID 21495657

IUPAC3-(4-fluorobenzoyl)-2-methylbenzenediazonium
SMILESCc1c([N+]#N)cccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN2O/c1-9-12(3-2-4-13(9)17-16)14(18)10-5-7-11(15)8-6-10/h2-8H,1H3/q+1
InChIKeyDVKDHBLYGLGBFT-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.85
Rot. Bonds2

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

3-(4-fluorobenzoyl)-2-methylbenzenediazonium (PubChem CID 21495657) has the molecular formula C14H10FN2O+ and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-methylbenzenediazonium.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-methylbenzenediazonium
PubChem CID21495657
Molecular FormulaC14H10FN2O+
Molecular Weight241.25 g/mol
Exact Mass241.08
IUPAC Name3-(4-fluorobenzoyl)-2-methylbenzenediazonium
SMILESCc1c([N+]#N)cccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN2O/c1-9-12(3-2-4-13(9)17-16)14(18)10-5-7-11(15)8-6-10/h2-8H,1H3/q+1
InChIKeyDVKDHBLYGLGBFT-UHFFFAOYSA-N
XLogP3.85
TPSA45.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.85
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 chloride
CID 21495656
(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?
The IUPAC name of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium (CID 21495657) is 3-(4-fluorobenzoyl)-2-methylbenzenediazonium.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-methylbenzenediazonium?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-methylbenzenediazonium is Cc1c([N+]#N)cccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium?
The InChIKey is DVKDHBLYGLGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN2O/c1-9-12(3-2-4-13(9)17-16)14(18)10-5-7-11(15)8-6-10/h2-8H,1H3/q+1.
What are the key properties of 3-(4-fluorobenzoyl)-2-methylbenzenediazonium?
3-(4-fluorobenzoyl)-2-methylbenzenediazonium has a molecular weight of 241.25 g/mol, XLogP of 3.85, 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 is sourced from PubChem (CID 21495657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).