2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole

C11H11FN4 — CID 178041058

IUPAC2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(C3CC3)n2)c(F)c1
InChIInChI=1S/C11H11FN4/c1-7-2-5-9(10(12)6-7)11-13-15-16(14-11)8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyBIFHYPVDFOPQSN-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.12
Rot. Bonds2

About 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole

2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole (PubChem CID 178041058) has the molecular formula C11H11FN4 and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole
PubChem CID178041058
Molecular FormulaC11H11FN4
Molecular Weight218.23 g/mol
Exact Mass218.10
IUPAC Name2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(C3CC3)n2)c(F)c1
InChIInChI=1S/C11H11FN4/c1-7-2-5-9(10(12)6-7)11-13-15-16(14-11)8-3-4-8/h2,5-6,8H,3-4H2,1H3
InChIKeyBIFHYPVDFOPQSN-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole?
The IUPAC name of 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole (CID 178041058) is 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole.
What is the SMILES notation for 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole?
The canonical SMILES for 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole is Cc1ccc(-c2nnn(C3CC3)n2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole?
The InChIKey is BIFHYPVDFOPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-7-2-5-9(10(12)6-7)11-13-15-16(14-11)8-3-4-8/h2,5-6,8H,3-4H2,1H3.
What are the key properties of 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole?
2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole has a molecular weight of 218.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole is sourced from PubChem (CID 178041058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).