1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole

C8H3ClF3IN4 — CID 18434363

IUPAC1-(2-chloro-4-iodophenyl)-5-(trifluoromethyl)tetrazole
SMILESC1=CC(=C(C=C1I)Cl)N2C(=NN=N2)C(F)(F)F
InChIInChI=1S/C8H3ClF3IN4/c9-5-3-4(13)1-2-6(5)17-7(8(10,11)12)14-15-16-17/h1-3H
InChIKeyUKAAVIBZUZOROZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.40
Rot. Bonds1

About 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole

1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole (PubChem CID 18434363) has the molecular formula C8H3ClF3IN4 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole
PubChem CID18434363
Molecular FormulaC8H3ClF3IN4
Molecular Weight374.49 g/mol
Exact Mass373.90
IUPAC Name1-(2-chloro-4-iodophenyl)-5-(trifluoromethyl)tetrazole
SMILESC1=CC(=C(C=C1I)Cl)N2C(=NN=N2)C(F)(F)F
InChIInChI=1S/C8H3ClF3IN4/c9-5-3-4(13)1-2-6(5)17-7(8(10,11)12)14-15-16-17/h1-3H
InChIKeyUKAAVIBZUZOROZ-UHFFFAOYSA-N
XLogP3.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole?
The IUPAC name of 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole (CID 18434363) is 1-(2-chloro-4-iodophenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole?
The canonical SMILES for 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole is C1=CC(=C(C=C1I)Cl)N2C(=NN=N2)C(F)(F)F.
What is the InChIKey of 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole?
The InChIKey is UKAAVIBZUZOROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3IN4/c9-5-3-4(13)1-2-6(5)17-7(8(10,11)12)14-15-16-17/h1-3H.
What are the key properties of 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole?
1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole has a molecular weight of 374.49 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodo-phenyl)-5-trifluoromethyl-1H-tetrazole is sourced from PubChem (CID 18434363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).