5-chloro-4-(trifluoromethoxy)-2H-benzotriazole

C7H3ClF3N3O — CID 22182711

IUPAC5-chloro-4-(trifluoromethoxy)-2H-benzotriazole
SMILESFC(F)(F)Oc1c(Cl)ccc2n[nH]nc12
InChIInChI=1S/C7H3ClF3N3O/c8-3-1-2-4-5(13-14-12-4)6(3)15-7(9,10)11/h1-2H,(H,12,13,14)
InChIKeyRLCFSCDZJLHWKV-UHFFFAOYSA-N
MW237.57 g/mol
LogP2.51
Rot. Bonds1

About 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole

5-chloro-4-(trifluoromethoxy)-2H-benzotriazole (PubChem CID 22182711) has the molecular formula C7H3ClF3N3O and a molecular weight of 237.57 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethoxy)-2H-benzotriazole
PubChem CID22182711
Molecular FormulaC7H3ClF3N3O
Molecular Weight237.57 g/mol
Exact Mass236.99
IUPAC Name5-chloro-4-(trifluoromethoxy)-2H-benzotriazole
SMILESFC(F)(F)Oc1c(Cl)ccc2n[nH]nc12
InChIInChI=1S/C7H3ClF3N3O/c8-3-1-2-4-5(13-14-12-4)6(3)15-7(9,10)11/h1-2H,(H,12,13,14)
InChIKeyRLCFSCDZJLHWKV-UHFFFAOYSA-N
XLogP2.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole?
The IUPAC name of 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole (CID 22182711) is 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole.
What is the SMILES notation for 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole?
The canonical SMILES for 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole is FC(F)(F)Oc1c(Cl)ccc2n[nH]nc12.
What is the InChIKey of 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole?
The InChIKey is RLCFSCDZJLHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3O/c8-3-1-2-4-5(13-14-12-4)6(3)15-7(9,10)11/h1-2H,(H,12,13,14).
What are the key properties of 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole?
5-chloro-4-(trifluoromethoxy)-2H-benzotriazole has a molecular weight of 237.57 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethoxy)-2H-benzotriazole is sourced from PubChem (CID 22182711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).