5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole

C8H3Cl2F3N4 — CID 19609786

IUPAC5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccc(-n2nnnc2Cl)cc1Cl
InChIInChI=1S/C8H3Cl2F3N4/c9-6-3-4(17-7(10)14-15-16-17)1-2-5(6)8(11,12)13/h1-3H
InChIKeyIZCIEMDLZICVET-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.99
Rot. Bonds1

About 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole

5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 19609786) has the molecular formula C8H3Cl2F3N4 and a molecular weight of 283.04 g/mol. Its IUPAC name is 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole
PubChem CID19609786
Molecular FormulaC8H3Cl2F3N4
Molecular Weight283.04 g/mol
Exact Mass281.97
IUPAC Name5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccc(-n2nnnc2Cl)cc1Cl
InChIInChI=1S/C8H3Cl2F3N4/c9-6-3-4(17-7(10)14-15-16-17)1-2-5(6)8(11,12)13/h1-3H
InChIKeyIZCIEMDLZICVET-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole (CID 19609786) is 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1ccc(-n2nnnc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is IZCIEMDLZICVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N4/c9-6-3-4(17-7(10)14-15-16-17)1-2-5(6)8(11,12)13/h1-3H.
What are the key properties of 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole?
5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 283.04 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 19609786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).