5-methyl-5-(trifluoromethyl)tetrazole

C3H3F3N4 — CID 69386293

IUPAC5-methyl-5-(trifluoromethyl)tetrazole
SMILESCC1(C(F)(F)F)N=NN=N1
InChIInChI=1S/C3H3F3N4/c1-2(3(4,5)6)7-9-10-8-2/h1H3
InChIKeyKRBHJTWSJBKUGZ-UHFFFAOYSA-N
MW152.08 g/mol
LogP2.10
Rot. Bonds

About 5-methyl-5-(trifluoromethyl)tetrazole

5-methyl-5-(trifluoromethyl)tetrazole (PubChem CID 69386293) has the molecular formula C3H3F3N4 and a molecular weight of 152.08 g/mol. Its IUPAC name is 5-methyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-methyl-5-(trifluoromethyl)tetrazole
PubChem CID69386293
Molecular FormulaC3H3F3N4
Molecular Weight152.08 g/mol
Exact Mass152.03
IUPAC Name5-methyl-5-(trifluoromethyl)tetrazole
SMILESCC1(C(F)(F)F)N=NN=N1
InChIInChI=1S/C3H3F3N4/c1-2(3(4,5)6)7-9-10-8-2/h1H3
InChIKeyKRBHJTWSJBKUGZ-UHFFFAOYSA-N
XLogP2.10
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 5-methyl-5-(trifluoromethyl)tetrazole (CID 69386293) is 5-methyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-methyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-methyl-5-(trifluoromethyl)tetrazole is CC1(C(F)(F)F)N=NN=N1.
What is the InChIKey of 5-methyl-5-(trifluoromethyl)tetrazole?
The InChIKey is KRBHJTWSJBKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3N4/c1-2(3(4,5)6)7-9-10-8-2/h1H3.
What are the key properties of 5-methyl-5-(trifluoromethyl)tetrazole?
5-methyl-5-(trifluoromethyl)tetrazole has a molecular weight of 152.08 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69386293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).