2-azido-1,3-dichloro-5-(trifluoromethyl)benzene

C7H2Cl2F3N3 — CID 19778409

IUPAC2-azido-1,3-dichloro-5-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl2F3N3/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-15-13/h1-2H
InChIKeyJYKFDWQNPJJVFV-UHFFFAOYSA-N
MW256.01 g/mol
LogP4.95
Rot. Bonds1

About 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene

2-azido-1,3-dichloro-5-(trifluoromethyl)benzene (PubChem CID 19778409) has the molecular formula C7H2Cl2F3N3 and a molecular weight of 256.01 g/mol. Its IUPAC name is 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-azido-1,3-dichloro-5-(trifluoromethyl)benzene
PubChem CID19778409
Molecular FormulaC7H2Cl2F3N3
Molecular Weight256.01 g/mol
Exact Mass254.96
IUPAC Name2-azido-1,3-dichloro-5-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2Cl2F3N3/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-15-13/h1-2H
InChIKeyJYKFDWQNPJJVFV-UHFFFAOYSA-N
XLogP4.95
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.01
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Amino-3,5-dichlorobenzonitrile
CID 522706
2-Chloro-4-trifluoromethylaniline
CID 162001
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 688223
2,4-Dichloro-6-(trifluoromethyl)aniline
CID 1268255
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
(2-Chloro-6-fluoro-4-(trifluoromethyl)phenyl)hydrazine
CID 13913421
2,6-Dichloro-4-toluidine
CID 3017030
(2,6-Dichloro-4-trifluoromethyl-phenylazo)-acetonitrile
CID 126508059
2,6-Dichloro-4-(trifluoromethyl)phenyl Isothiocyanate
CID 135019947
1-Azido-4-chloro-2-(trifluoromethyl)benzene
CID 43154612

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene (CID 19778409) is 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene is [N-]=[N+]=Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene?
The InChIKey is JYKFDWQNPJJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F3N3/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-15-13/h1-2H.
What are the key properties of 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene?
2-azido-1,3-dichloro-5-(trifluoromethyl)benzene has a molecular weight of 256.01 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-dichloro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 19778409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).