1-[2-(2,4-difluorophenyl)ethyl]tetrazole

C9H8F2N4 — CID 166395215

IUPAC1-[2-(2,4-difluorophenyl)ethyl]tetrazole
SMILESFc1ccc(CCn2cnnn2)c(F)c1
InChIInChI=1S/C9H8F2N4/c10-8-2-1-7(9(11)5-8)3-4-15-6-12-13-14-15/h1-2,5-6H,3-4H2
InChIKeyHJJMJQSMQFHSAO-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)ethyl]tetrazole

1-[2-(2,4-difluorophenyl)ethyl]tetrazole (PubChem CID 166395215) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]tetrazole.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]tetrazole
PubChem CID166395215
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]tetrazole
SMILESFc1ccc(CCn2cnnn2)c(F)c1
InChIInChI=1S/C9H8F2N4/c10-8-2-1-7(9(11)5-8)3-4-15-6-12-13-14-15/h1-2,5-6H,3-4H2
InChIKeyHJJMJQSMQFHSAO-UHFFFAOYSA-N
XLogP1.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]tetrazole?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]tetrazole (CID 166395215) is 1-[2-(2,4-difluorophenyl)ethyl]tetrazole.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]tetrazole?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]tetrazole is Fc1ccc(CCn2cnnn2)c(F)c1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]tetrazole?
The InChIKey is HJJMJQSMQFHSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-8-2-1-7(9(11)5-8)3-4-15-6-12-13-14-15/h1-2,5-6H,3-4H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]tetrazole?
1-[2-(2,4-difluorophenyl)ethyl]tetrazole has a molecular weight of 210.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]tetrazole is sourced from PubChem (CID 166395215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).