2-fluoro-5-(2H-tetrazol-5-yl)phenol

C7H5FN4O — CID 20776972

IUPAC2-fluoro-5-(2H-tetrazol-5-yl)phenol
SMILESOc1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C7H5FN4O/c8-5-2-1-4(3-6(5)13)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12)
InChIKeyHZSIPBFSOHQVHO-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.71
Rot. Bonds1

About 2-fluoro-5-(2H-tetrazol-5-yl)phenol

2-fluoro-5-(2H-tetrazol-5-yl)phenol (PubChem CID 20776972) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-fluoro-5-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(2H-tetrazol-5-yl)phenol
PubChem CID20776972
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name2-fluoro-5-(2H-tetrazol-5-yl)phenol
SMILESOc1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C7H5FN4O/c8-5-2-1-4(3-6(5)13)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12)
InChIKeyHZSIPBFSOHQVHO-UHFFFAOYSA-N
XLogP0.71
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2-fluoro-5-(2H-tetrazol-5-yl)phenol (CID 20776972) is 2-fluoro-5-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2-fluoro-5-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2-fluoro-5-(2H-tetrazol-5-yl)phenol is Oc1cc(-c2nn[nH]n2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2H-tetrazol-5-yl)phenol?
The InChIKey is HZSIPBFSOHQVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-5-2-1-4(3-6(5)13)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12).
What are the key properties of 2-fluoro-5-(2H-tetrazol-5-yl)phenol?
2-fluoro-5-(2H-tetrazol-5-yl)phenol has a molecular weight of 180.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 20776972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).