5-(3,4-difluorophenyl)-2H-tetrazole

C7H4F2N4 — CID 43658630

IUPAC5-(3,4-difluorophenyl)-2H-tetrazole
SMILESFc1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C7H4F2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyOPJVXMFUPHECKZ-UHFFFAOYSA-N
MW182.13 g/mol
LogP1.14
Rot. Bonds1

About 5-(3,4-difluorophenyl)-2H-tetrazole

5-(3,4-difluorophenyl)-2H-tetrazole (PubChem CID 43658630) has the molecular formula C7H4F2N4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2H-tetrazole
PubChem CID43658630
Molecular FormulaC7H4F2N4
Molecular Weight182.13 g/mol
Exact Mass182.04
IUPAC Name5-(3,4-difluorophenyl)-2H-tetrazole
SMILESFc1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C7H4F2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyOPJVXMFUPHECKZ-UHFFFAOYSA-N
XLogP1.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane
CID 144518924
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol
CID 136929552
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881
2-bromo-4-(2H-tetrazol-5-yl)phenol
CID 135859940
CID 175020702
CID 175020702
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5-(3-chlorophenyl)-2H-tetrazole;5-(2-fluorophenyl)-2H-tetrazole;octakis(5-(4-methylphenyl)-2H-tetrazole);5-phenyl-2H-tetrazole
CID 159225872
N-ethyl-2-fluoro-N-(2-methylprop-2-enyl)-5-(2H-tetrazol-5-yl)benzamide
CID 166311857

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2H-tetrazole?
The IUPAC name of 5-(3,4-difluorophenyl)-2H-tetrazole (CID 43658630) is 5-(3,4-difluorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-2H-tetrazole is Fc1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-2H-tetrazole?
The InChIKey is OPJVXMFUPHECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
What are the key properties of 5-(3,4-difluorophenyl)-2H-tetrazole?
5-(3,4-difluorophenyl)-2H-tetrazole has a molecular weight of 182.13 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2H-tetrazole is sourced from PubChem (CID 43658630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).