3-chloro-5-(trifluoromethyl)benzenediazonium

C7H3ClF3N2+ — CID 86145286

IUPAC3-chloro-5-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H3ClF3N2/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3H/q+1
InChIKeyPRIFMMMQKDOMHJ-UHFFFAOYSA-N
MW207.56 g/mol
LogP3.84
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)benzenediazonium

3-chloro-5-(trifluoromethyl)benzenediazonium (PubChem CID 86145286) has the molecular formula C7H3ClF3N2+ and a molecular weight of 207.56 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)benzenediazonium.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)benzenediazonium
PubChem CID86145286
Molecular FormulaC7H3ClF3N2+
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name3-chloro-5-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H3ClF3N2/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3H/q+1
InChIKeyPRIFMMMQKDOMHJ-UHFFFAOYSA-N
XLogP3.84
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
3-(trifluoromethyl)benzenediazonium
CID 12637887
3-(trifluoromethyl)benzenediazonium chloride
CID 12637886
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
CID 116700642
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
CID 156612938
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 116700364
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)benzenediazonium?
The IUPAC name of 3-chloro-5-(trifluoromethyl)benzenediazonium (CID 86145286) is 3-chloro-5-(trifluoromethyl)benzenediazonium.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)benzenediazonium?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)benzenediazonium is N#[N+]c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)benzenediazonium?
The InChIKey is PRIFMMMQKDOMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N2/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3H/q+1.
What are the key properties of 3-chloro-5-(trifluoromethyl)benzenediazonium?
3-chloro-5-(trifluoromethyl)benzenediazonium has a molecular weight of 207.56 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)benzenediazonium is sourced from PubChem (CID 86145286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).