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

C15H20F2N4 — CID 171655782

IUPAC2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane
SMILESCC.Cc1ccc(-c2nnn(C3CC(F)(F)C3)n2)cc1C
InChIInChI=1S/C13H14F2N4.C2H6/c1-8-3-4-10(5-9(8)2)12-16-18-19(17-12)11-6-13(14,15)7-11;1-2/h3-5,11H,6-7H2,1-2H3;1-2H3
InChIKeyISLKBQNDPXPGSU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.95
Rot. Bonds2

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

2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane (PubChem CID 171655782) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane
PubChem CID171655782
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane
SMILESCC.Cc1ccc(-c2nnn(C3CC(F)(F)C3)n2)cc1C
InChIInChI=1S/C13H14F2N4.C2H6/c1-8-3-4-10(5-9(8)2)12-16-18-19(17-12)11-6-13(14,15)7-11;1-2/h3-5,11H,6-7H2,1-2H3;1-2H3
InChIKeyISLKBQNDPXPGSU-UHFFFAOYSA-N
XLogP3.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.95
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;ethane?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane (CID 171655782) is 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane is CC.Cc1ccc(-c2nnn(C3CC(F)(F)C3)n2)cc1C.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane?
The InChIKey is ISLKBQNDPXPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4.C2H6/c1-8-3-4-10(5-9(8)2)12-16-18-19(17-12)11-6-13(14,15)7-11;1-2/h3-5,11H,6-7H2,1-2H3;1-2H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane?
2-(3,3-difluorocyclobutyl)-5-(3,4-dimethylphenyl)tetrazole;ethane has a molecular weight of 294.35 g/mol, XLogP of 3.95, 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;ethane is sourced from PubChem (CID 171655782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).