5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole

C9H4F6N4 — CID 620220

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
SMILESFC(F)(F)c1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1
InChIInChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChIKeyKKJFZIQEWZVVIV-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.90
Rot. Bonds1

About 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole

5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole (PubChem CID 620220) has the molecular formula C9H4F6N4 and a molecular weight of 282.15 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
PubChem CID620220
Molecular FormulaC9H4F6N4
Molecular Weight282.15 g/mol
Exact Mass282.03
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
SMILESFC(F)(F)c1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1
InChIInChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChIKeyKKJFZIQEWZVVIV-UHFFFAOYSA-N
XLogP2.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3,5-bis(trifluoromethyl)phenyl]-2H-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-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole (CID 620220) is 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole is FC(F)(F)c1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole?
The InChIKey is KKJFZIQEWZVVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole?
5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole has a molecular weight of 282.15 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 620220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).