5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole

C11H13FN4 — CID 146634887

IUPAC5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole
SMILESCC(C)c1cccc(-c2nnn(C)n2)c1F
InChIInChI=1S/C11H13FN4/c1-7(2)8-5-4-6-9(10(8)12)11-13-15-16(3)14-11/h4-7H,1-3H3
InChIKeyYLKUHCSAKSJQLW-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.14
Rot. Bonds2

About 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole

5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole (PubChem CID 146634887) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole
PubChem CID146634887
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole
SMILESCC(C)c1cccc(-c2nnn(C)n2)c1F
InChIInChI=1S/C11H13FN4/c1-7(2)8-5-4-6-9(10(8)12)11-13-15-16(3)14-11/h4-7H,1-3H3
InChIKeyYLKUHCSAKSJQLW-UHFFFAOYSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole?
The IUPAC name of 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole (CID 146634887) is 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole.
What is the SMILES notation for 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole?
The canonical SMILES for 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole is CC(C)c1cccc(-c2nnn(C)n2)c1F.
What is the InChIKey of 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole?
The InChIKey is YLKUHCSAKSJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7(2)8-5-4-6-9(10(8)12)11-13-15-16(3)14-11/h4-7H,1-3H3.
What are the key properties of 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole?
5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole has a molecular weight of 220.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-propan-2-ylphenyl)-2-methyltetrazole is sourced from PubChem (CID 146634887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).