2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole

C13H14F2N4 — CID 171655783

IUPAC2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(C3CC(F)(F)C3)n2)cc1C
InChIInChI=1S/C13H14F2N4/c1-8-3-4-10(5-9(8)2)12-16-18-19(17-12)11-6-13(14,15)7-11/h3-5,11H,6-7H2,1-2H3
InChIKeyUWCDXZJWGRHFTH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.93
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole

2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole (PubChem CID 171655783) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole
PubChem CID171655783
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(C3CC(F)(F)C3)n2)cc1C
InChIInChI=1S/C13H14F2N4/c1-8-3-4-10(5-9(8)2)12-16-18-19(17-12)11-6-13(14,15)7-11/h3-5,11H,6-7H2,1-2H3
InChIKeyUWCDXZJWGRHFTH-UHFFFAOYSA-N
XLogP2.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole (CID 171655783) is 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole is Cc1ccc(-c2nnn(C3CC(F)(F)C3)n2)cc1C.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole?
The InChIKey is UWCDXZJWGRHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-8-3-4-10(5-9(8)2)12-16-18-19(17-12)11-6-13(14,15)7-11/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole?
2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole has a molecular weight of 264.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole is sourced from PubChem (CID 171655783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).