5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole

C10H9F3N4O — CID 67274552

IUPAC5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCOCc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N4O/c1-18-6-9-14-15-16-17(9)8-4-2-7(3-5-8)10(11,12)13/h2-5H,6H2,1H3
InChIKeyBVBPWLXDJCTRNK-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.83
Rot. Bonds3

About 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole

5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 67274552) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole
PubChem CID67274552
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCOCc1nnnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N4O/c1-18-6-9-14-15-16-17(9)8-4-2-7(3-5-8)10(11,12)13/h2-5H,6H2,1H3
InChIKeyBVBPWLXDJCTRNK-UHFFFAOYSA-N
XLogP1.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(methoxymethyl)-1-[4-(trifluoromethyl)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-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole (CID 67274552) is 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole is COCc1nnnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is BVBPWLXDJCTRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-18-6-9-14-15-16-17(9)8-4-2-7(3-5-8)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 258.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 67274552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).