2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole

C9H7F3N4 — CID 59173022

IUPAC2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C9H7F3N4/c1-16-14-8(13-15-16)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChIKeyUJOYAZQAQWYTAX-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.90
Rot. Bonds1

About 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole

2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 59173022) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole
PubChem CID59173022
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C9H7F3N4/c1-16-14-8(13-15-16)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChIKeyUJOYAZQAQWYTAX-UHFFFAOYSA-N
XLogP1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole (CID 59173022) is 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole is Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is UJOYAZQAQWYTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-16-14-8(13-15-16)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole?
2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 228.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 59173022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).