5-[2-(difluoromethoxy)phenyl]-2H-tetrazole

C8H6F2N4O — CID 7017704

IUPAC5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
SMILESFC(F)Oc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H6F2N4O/c9-8(10)15-6-4-2-1-3-5(6)7-11-13-14-12-7/h1-4,8H,(H,11,12,13,14)
InChIKeyRPWGBNNXYCBHME-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.47
Rot. Bonds3

About 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole

5-[2-(difluoromethoxy)phenyl]-2H-tetrazole (PubChem CID 7017704) has the molecular formula C8H6F2N4O and a molecular weight of 212.16 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
PubChem CID7017704
Molecular FormulaC8H6F2N4O
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
SMILESFC(F)Oc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H6F2N4O/c9-8(10)15-6-4-2-1-3-5(6)7-11-13-14-12-7/h1-4,8H,(H,11,12,13,14)
InChIKeyRPWGBNNXYCBHME-UHFFFAOYSA-N
XLogP1.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole (CID 7017704) is 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole is FC(F)Oc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole?
The InChIKey is RPWGBNNXYCBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O/c9-8(10)15-6-4-2-1-3-5(6)7-11-13-14-12-7/h1-4,8H,(H,11,12,13,14).
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole?
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole has a molecular weight of 212.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-2H-tetrazole is sourced from PubChem (CID 7017704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).