3-fluoro-4-(2-methyltetrazol-5-yl)phenol

C8H7FN4O — CID 137218821

IUPAC3-fluoro-4-(2-methyltetrazol-5-yl)phenol
SMILESCn1nnc(-c2ccc(O)cc2F)n1
InChIInChI=1S/C8H7FN4O/c1-13-11-8(10-12-13)6-3-2-5(14)4-7(6)9/h2-4,14H,1H3
InChIKeyIKYDXCHPGVUQJM-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.72
Rot. Bonds1

About 3-fluoro-4-(2-methyltetrazol-5-yl)phenol

3-fluoro-4-(2-methyltetrazol-5-yl)phenol (PubChem CID 137218821) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-fluoro-4-(2-methyltetrazol-5-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(2-methyltetrazol-5-yl)phenol
PubChem CID137218821
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name3-fluoro-4-(2-methyltetrazol-5-yl)phenol
SMILESCn1nnc(-c2ccc(O)cc2F)n1
InChIInChI=1S/C8H7FN4O/c1-13-11-8(10-12-13)6-3-2-5(14)4-7(6)9/h2-4,14H,1H3
InChIKeyIKYDXCHPGVUQJM-UHFFFAOYSA-N
XLogP0.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methyltetrazol-5-yl)phenol?
The IUPAC name of 3-fluoro-4-(2-methyltetrazol-5-yl)phenol (CID 137218821) is 3-fluoro-4-(2-methyltetrazol-5-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(2-methyltetrazol-5-yl)phenol?
The canonical SMILES for 3-fluoro-4-(2-methyltetrazol-5-yl)phenol is Cn1nnc(-c2ccc(O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-(2-methyltetrazol-5-yl)phenol?
The InChIKey is IKYDXCHPGVUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c1-13-11-8(10-12-13)6-3-2-5(14)4-7(6)9/h2-4,14H,1H3.
What are the key properties of 3-fluoro-4-(2-methyltetrazol-5-yl)phenol?
3-fluoro-4-(2-methyltetrazol-5-yl)phenol has a molecular weight of 194.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methyltetrazol-5-yl)phenol is sourced from PubChem (CID 137218821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).