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

C7H5FN4O — CID 58128550

IUPAC3-fluoro-4-(tetrazol-1-yl)phenol
SMILESOc1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C7H5FN4O/c8-6-3-5(13)1-2-7(6)12-4-9-10-11-12/h1-4,13H
InChIKeyVYAGUULWYRFBGD-UHFFFAOYSA-N
MW180.14 g/mol
LogP0.51
Rot. Bonds1

About 3-fluoro-4-(tetrazol-1-yl)phenol

3-fluoro-4-(tetrazol-1-yl)phenol (PubChem CID 58128550) has the molecular formula C7H5FN4O and a molecular weight of 180.14 g/mol. Its IUPAC name is 3-fluoro-4-(tetrazol-1-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(tetrazol-1-yl)phenol
PubChem CID58128550
Molecular FormulaC7H5FN4O
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Name3-fluoro-4-(tetrazol-1-yl)phenol
SMILESOc1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C7H5FN4O/c8-6-3-5(13)1-2-7(6)12-4-9-10-11-12/h1-4,13H
InChIKeyVYAGUULWYRFBGD-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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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
1-(4-Methoxy-phenyl)-1H-tetrazole
CID 270008
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731
3-(1H-tetrazol-1-yl)phenol
CID 856192
2-(1H-1,2,4-triazol-1-yl)phenol
CID 23055339
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
1-[4-(Trifluoromethoxy)phenyl]tetrazole
CID 69730003
4-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 1418906
4-(3-amino-1H-1,2,4-triazol-1-yl)phenol
CID 75453064

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(tetrazol-1-yl)phenol?
The IUPAC name of 3-fluoro-4-(tetrazol-1-yl)phenol (CID 58128550) is 3-fluoro-4-(tetrazol-1-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(tetrazol-1-yl)phenol?
The canonical SMILES for 3-fluoro-4-(tetrazol-1-yl)phenol is Oc1ccc(-n2cnnn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(tetrazol-1-yl)phenol?
The InChIKey is VYAGUULWYRFBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-6-3-5(13)1-2-7(6)12-4-9-10-11-12/h1-4,13H.
What are the key properties of 3-fluoro-4-(tetrazol-1-yl)phenol?
3-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 3-fluoro-4-(tetrazol-1-yl)phenol is sourced from PubChem (CID 58128550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).