2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium

C13H7ClF3N2O+ — CID 160586100

IUPAC2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium
SMILESN#[N+]c1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C13H7ClF3N2O/c14-11-7-10(4-5-12(11)19-18)20-9-3-1-2-8(6-9)13(15,16)17/h1-7H/q+1
InChIKeyMAQRENQJJPLFLJ-UHFFFAOYSA-N
MW299.66 g/mol
LogP5.64
Rot. Bonds2

About 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium

2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium (PubChem CID 160586100) has the molecular formula C13H7ClF3N2O+ and a molecular weight of 299.66 g/mol. Its IUPAC name is 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium.

Molecular Properties

Compound Name2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium
PubChem CID160586100
Molecular FormulaC13H7ClF3N2O+
Molecular Weight299.66 g/mol
Exact Mass299.02
IUPAC Name2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium
SMILESN#[N+]c1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C13H7ClF3N2O/c14-11-7-10(4-5-12(11)19-18)20-9-3-1-2-8(6-9)13(15,16)17/h1-7H/q+1
InChIKeyMAQRENQJJPLFLJ-UHFFFAOYSA-N
XLogP5.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.66
LogP ≤ 55.64
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

2-chloro-1-(iodomethyl)-4-[3-(trifluoromethyl)phenoxy]benzene
CID 142698843
2-chloro-1-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]benzene
CID 163899955
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
CID 86049649
4-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-2-methylbutan-2-amine
CID 141197585
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[4-[3-(trifluoromethyl)phenoxy]phenoxy]boronic acid
CID 142798495
CID 71146552
CID 71146552
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium?
The IUPAC name of 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium (CID 160586100) is 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium.
What is the SMILES notation for 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium?
The canonical SMILES for 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium is N#[N+]c1ccc(Oc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium?
The InChIKey is MAQRENQJJPLFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N2O/c14-11-7-10(4-5-12(11)19-18)20-9-3-1-2-8(6-9)13(15,16)17/h1-7H/q+1.
What are the key properties of 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium?
2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium has a molecular weight of 299.66 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(trifluoromethyl)phenoxy]benzenediazonium is sourced from PubChem (CID 160586100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).