2-fluoro-4-(tetrazol-1-yl)phenol

C7H5FN4O — CID 58114323

IUPAC2-fluoro-4-(tetrazol-1-yl)phenol
SMILESOc1ccc(-n2cnnn2)cc1F
InChIInChI=1S/C7H5FN4O/c8-6-3-5(1-2-7(6)13)12-4-9-10-11-12/h1-4,13H
InChIKeyFTESLVUXEDIYKX-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.51
Rot. Bonds1

About 2-fluoro-4-(tetrazol-1-yl)phenol

2-fluoro-4-(tetrazol-1-yl)phenol (PubChem CID 58114323) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-fluoro-4-(tetrazol-1-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(tetrazol-1-yl)phenol
PubChem CID58114323
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name2-fluoro-4-(tetrazol-1-yl)phenol
SMILESOc1ccc(-n2cnnn2)cc1F
InChIInChI=1S/C7H5FN4O/c8-6-3-5(1-2-7(6)13)12-4-9-10-11-12/h1-4,13H
InChIKeyFTESLVUXEDIYKX-UHFFFAOYSA-N
XLogP0.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(tetrazol-1-yl)phenol?
The IUPAC name of 2-fluoro-4-(tetrazol-1-yl)phenol (CID 58114323) is 2-fluoro-4-(tetrazol-1-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(tetrazol-1-yl)phenol?
The canonical SMILES for 2-fluoro-4-(tetrazol-1-yl)phenol is Oc1ccc(-n2cnnn2)cc1F.
What is the InChIKey of 2-fluoro-4-(tetrazol-1-yl)phenol?
The InChIKey is FTESLVUXEDIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-6-3-5(1-2-7(6)13)12-4-9-10-11-12/h1-4,13H.
What are the key properties of 2-fluoro-4-(tetrazol-1-yl)phenol?
2-fluoro-4-(tetrazol-1-yl)phenol has a molecular weight of 180.14 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(tetrazol-1-yl)phenol is sourced from PubChem (CID 58114323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).