4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride

C9H12F6N3P — CID 91496119

IUPAC4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
SMILESCc1cc(N(C)C)ccc1[N+]#N.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C9H12N3.F5P.FH/c1-7-6-8(12(2)3)4-5-9(7)11-10;1-6(2,3,4)5;/h4-6H,1-3H3;;1H/q+1;;/p-1
InChIKeyFQPOTBFQPXDNQU-UHFFFAOYSA-M
MW307.18 g/mol
LogP2.51
Rot. Bonds1

About 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride

4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride (PubChem CID 91496119) has the molecular formula C9H12F6N3P and a molecular weight of 307.18 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
PubChem CID91496119
Molecular FormulaC9H12F6N3P
Molecular Weight307.18 g/mol
Exact Mass307.07
IUPAC Name4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
SMILESCc1cc(N(C)C)ccc1[N+]#N.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C9H12N3.F5P.FH/c1-7-6-8(12(2)3)4-5-9(7)11-10;1-6(2,3,4)5;/h4-6H,1-3H3;;1H/q+1;;/p-1
InChIKeyFQPOTBFQPXDNQU-UHFFFAOYSA-M
XLogP2.51
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride?
The IUPAC name of 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride (CID 91496119) is 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride.
What is the SMILES notation for 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride?
The canonical SMILES for 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride is Cc1cc(N(C)C)ccc1[N+]#N.FP(F)(F)(F)F.[F-].
What is the InChIKey of 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride?
The InChIKey is FQPOTBFQPXDNQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N3.F5P.FH/c1-7-6-8(12(2)3)4-5-9(7)11-10;1-6(2,3,4)5;/h4-6H,1-3H3;;1H/q+1;;/p-1.
What are the key properties of 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride?
4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride has a molecular weight of 307.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride is sourced from PubChem (CID 91496119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).