1-benzyl-5-(2,3-difluorophenyl)tetrazole

C14H10F2N4 — CID 11543614

IUPAC1-benzyl-5-(2,3-difluorophenyl)tetrazole
SMILESFc1cccc(-c2nnnn2Cc2ccccc2)c1F
InChIInChI=1S/C14H10F2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyQRXQIKISWCZWBS-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.67
Rot. Bonds3

About 1-benzyl-5-(2,3-difluorophenyl)tetrazole

1-benzyl-5-(2,3-difluorophenyl)tetrazole (PubChem CID 11543614) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-benzyl-5-(2,3-difluorophenyl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(2,3-difluorophenyl)tetrazole
PubChem CID11543614
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name1-benzyl-5-(2,3-difluorophenyl)tetrazole
SMILESFc1cccc(-c2nnnn2Cc2ccccc2)c1F
InChIInChI=1S/C14H10F2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyQRXQIKISWCZWBS-UHFFFAOYSA-N
XLogP2.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,3-difluorophenyl)tetrazole?
The IUPAC name of 1-benzyl-5-(2,3-difluorophenyl)tetrazole (CID 11543614) is 1-benzyl-5-(2,3-difluorophenyl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(2,3-difluorophenyl)tetrazole?
The canonical SMILES for 1-benzyl-5-(2,3-difluorophenyl)tetrazole is Fc1cccc(-c2nnnn2Cc2ccccc2)c1F.
What is the InChIKey of 1-benzyl-5-(2,3-difluorophenyl)tetrazole?
The InChIKey is QRXQIKISWCZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-12-8-4-7-11(13(12)16)14-17-18-19-20(14)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzyl-5-(2,3-difluorophenyl)tetrazole?
1-benzyl-5-(2,3-difluorophenyl)tetrazole has a molecular weight of 272.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,3-difluorophenyl)tetrazole is sourced from PubChem (CID 11543614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).