1-(2-cyclopropyl-4-fluorophenyl)tetrazole

C10H9FN4 — CID 90215449

IUPAC1-(2-cyclopropyl-4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)c(C2CC2)c1
InChIInChI=1S/C10H9FN4/c11-8-3-4-10(15-6-12-13-14-15)9(5-8)7-1-2-7/h3-7H,1-2H2
InChIKeyICGJHJXTFXOACE-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.68
Rot. Bonds2

About 1-(2-cyclopropyl-4-fluorophenyl)tetrazole

1-(2-cyclopropyl-4-fluorophenyl)tetrazole (PubChem CID 90215449) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-(2-cyclopropyl-4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(2-cyclopropyl-4-fluorophenyl)tetrazole
PubChem CID90215449
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name1-(2-cyclopropyl-4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)c(C2CC2)c1
InChIInChI=1S/C10H9FN4/c11-8-3-4-10(15-6-12-13-14-15)9(5-8)7-1-2-7/h3-7H,1-2H2
InChIKeyICGJHJXTFXOACE-UHFFFAOYSA-N
XLogP1.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-4-fluorophenyl)tetrazole?
The IUPAC name of 1-(2-cyclopropyl-4-fluorophenyl)tetrazole (CID 90215449) is 1-(2-cyclopropyl-4-fluorophenyl)tetrazole.
What is the SMILES notation for 1-(2-cyclopropyl-4-fluorophenyl)tetrazole?
The canonical SMILES for 1-(2-cyclopropyl-4-fluorophenyl)tetrazole is Fc1ccc(-n2cnnn2)c(C2CC2)c1.
What is the InChIKey of 1-(2-cyclopropyl-4-fluorophenyl)tetrazole?
The InChIKey is ICGJHJXTFXOACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-8-3-4-10(15-6-12-13-14-15)9(5-8)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 1-(2-cyclopropyl-4-fluorophenyl)tetrazole?
1-(2-cyclopropyl-4-fluorophenyl)tetrazole has a molecular weight of 204.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-4-fluorophenyl)tetrazole is sourced from PubChem (CID 90215449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).