5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride

C12H13ClF3N3O2 — CID 159987480

IUPAC5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
SMILESCOc1cc([N+]#N)c(C(F)(F)F)cc1N1CCOCC1.[Cl-]
InChIInChI=1S/C12H13F3N3O2.ClH/c1-19-11-7-9(17-16)8(12(13,14)15)6-10(11)18-2-4-20-5-3-18;/h6-7H,2-5H2,1H3;1H/q+1;/p-1
InChIKeyOGNDZGIZWMVRRH-UHFFFAOYSA-M
MW323.70 g/mol
LogP0.04
Rot. Bonds2

About 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride

5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride (PubChem CID 159987480) has the molecular formula C12H13ClF3N3O2 and a molecular weight of 323.70 g/mol. Its IUPAC name is 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride.

Molecular Properties

Compound Name5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
PubChem CID159987480
Molecular FormulaC12H13ClF3N3O2
Molecular Weight323.70 g/mol
Exact Mass323.06
IUPAC Name5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
SMILESCOc1cc([N+]#N)c(C(F)(F)F)cc1N1CCOCC1.[Cl-]
InChIInChI=1S/C12H13F3N3O2.ClH/c1-19-11-7-9(17-16)8(12(13,14)15)6-10(11)18-2-4-20-5-3-18;/h6-7H,2-5H2,1H3;1H/q+1;/p-1
InChIKeyOGNDZGIZWMVRRH-UHFFFAOYSA-M
XLogP0.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
CID 73011068
zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
CID 170853886
2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 20841699
dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
CID 157391269
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
CID 71382500
bis(5-butan-2-yloxy-2-methoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 88818752
2,6-dimethoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate
CID 22290193
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 122429138
5-fluoro-4-methoxy-2-(1,4-oxazepan-4-yl)aniline
CID 63598726
(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
CID 91825783

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride?
The IUPAC name of 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride (CID 159987480) is 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride.
What is the SMILES notation for 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride?
The canonical SMILES for 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride is COc1cc([N+]#N)c(C(F)(F)F)cc1N1CCOCC1.[Cl-].
What is the InChIKey of 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride?
The InChIKey is OGNDZGIZWMVRRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13F3N3O2.ClH/c1-19-11-7-9(17-16)8(12(13,14)15)6-10(11)18-2-4-20-5-3-18;/h6-7H,2-5H2,1H3;1H/q+1;/p-1.
What are the key properties of 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride?
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride has a molecular weight of 323.70 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride is sourced from PubChem (CID 159987480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).