5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole

C8H4ClF3N4O — CID 19609800

IUPAC5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole
SMILESFC(F)(F)Oc1ccc(-n2nnnc2Cl)cc1
InChIInChI=1S/C8H4ClF3N4O/c9-7-13-14-15-16(7)5-1-3-6(4-2-5)17-8(10,11)12/h1-4H
InChIKeyQHMVGHTVCHFTEH-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.21
Rot. Bonds2

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

5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole (PubChem CID 19609800) has the molecular formula C8H4ClF3N4O and a molecular weight of 264.59 g/mol. Its IUPAC name is 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole.

Molecular Properties

Compound Name5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole
PubChem CID19609800
Molecular FormulaC8H4ClF3N4O
Molecular Weight264.59 g/mol
Exact Mass264.00
IUPAC Name5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole
SMILESFC(F)(F)Oc1ccc(-n2nnnc2Cl)cc1
InChIInChI=1S/C8H4ClF3N4O/c9-7-13-14-15-16(7)5-1-3-6(4-2-5)17-8(10,11)12/h1-4H
InChIKeyQHMVGHTVCHFTEH-UHFFFAOYSA-N
XLogP2.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole?
The IUPAC name of 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole (CID 19609800) is 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole.
What is the SMILES notation for 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole?
The canonical SMILES for 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole is FC(F)(F)Oc1ccc(-n2nnnc2Cl)cc1.
What is the InChIKey of 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole?
The InChIKey is QHMVGHTVCHFTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4O/c9-7-13-14-15-16(7)5-1-3-6(4-2-5)17-8(10,11)12/h1-4H.
What are the key properties of 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole?
5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole has a molecular weight of 264.59 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-(trifluoromethoxy)phenyl]tetrazole is sourced from PubChem (CID 19609800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).