4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol

C9H8F2N4O — CID 135974520

IUPAC4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol
SMILESCc1cc(-c2nnn(C(F)F)n2)ccc1O
InChIInChI=1S/C9H8F2N4O/c1-5-4-6(2-3-7(5)16)8-12-14-15(13-8)9(10)11/h2-4,9,16H,1H3
InChIKeyWWFNFZOIHLZLAY-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.75
Rot. Bonds2

About 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol

4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol (PubChem CID 135974520) has the molecular formula C9H8F2N4O and a molecular weight of 226.19 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol
PubChem CID135974520
Molecular FormulaC9H8F2N4O
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol
SMILESCc1cc(-c2nnn(C(F)F)n2)ccc1O
InChIInChI=1S/C9H8F2N4O/c1-5-4-6(2-3-7(5)16)8-12-14-15(13-8)9(10)11/h2-4,9,16H,1H3
InChIKeyWWFNFZOIHLZLAY-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol?
The IUPAC name of 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol (CID 135974520) is 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol.
What is the SMILES notation for 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol?
The canonical SMILES for 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol is Cc1cc(-c2nnn(C(F)F)n2)ccc1O.
What is the InChIKey of 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol?
The InChIKey is WWFNFZOIHLZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O/c1-5-4-6(2-3-7(5)16)8-12-14-15(13-8)9(10)11/h2-4,9,16H,1H3.
What are the key properties of 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol?
4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol has a molecular weight of 226.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)tetrazol-5-yl]-2-methylphenol is sourced from PubChem (CID 135974520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).