7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine

C8H2Cl2F3N3 — CID 10333226

IUPAC7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine
SMILESFC(F)(F)c1nnc2c(Cl)c(Cl)ccc2n1
InChIInChI=1S/C8H2Cl2F3N3/c9-3-1-2-4-6(5(3)10)15-16-7(14-4)8(11,12)13/h1-2H
InChIKeyKFDHMOJUDDYVMD-UHFFFAOYSA-N
MW268.03 g/mol
LogP3.35
Rot. Bonds

About 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine

7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine (PubChem CID 10333226) has the molecular formula C8H2Cl2F3N3 and a molecular weight of 268.03 g/mol. Its IUPAC name is 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine.

Molecular Properties

Compound Name7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine
PubChem CID10333226
Molecular FormulaC8H2Cl2F3N3
Molecular Weight268.03 g/mol
Exact Mass266.96
IUPAC Name7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine
SMILESFC(F)(F)c1nnc2c(Cl)c(Cl)ccc2n1
InChIInChI=1S/C8H2Cl2F3N3/c9-3-1-2-4-6(5(3)10)15-16-7(14-4)8(11,12)13/h1-2H
InChIKeyKFDHMOJUDDYVMD-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine?
The IUPAC name of 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine (CID 10333226) is 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine.
What is the SMILES notation for 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine?
The canonical SMILES for 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine is FC(F)(F)c1nnc2c(Cl)c(Cl)ccc2n1.
What is the InChIKey of 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine?
The InChIKey is KFDHMOJUDDYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3N3/c9-3-1-2-4-6(5(3)10)15-16-7(14-4)8(11,12)13/h1-2H.
What are the key properties of 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine?
7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine has a molecular weight of 268.03 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3-(trifluoromethyl)-1,2,4-benzotriazine is sourced from PubChem (CID 10333226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).