5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole

C8H5F3N4O — CID 2777350

IUPAC5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole
SMILESFC(F)(F)Oc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)16-6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKeyYKYWVXHVSVSQOX-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.77
Rot. Bonds2

About 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole

5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole (PubChem CID 2777350) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole
PubChem CID2777350
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole
SMILESFC(F)(F)Oc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)16-6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKeyYKYWVXHVSVSQOX-UHFFFAOYSA-N
XLogP1.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole (CID 2777350) is 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole is FC(F)(F)Oc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole?
The InChIKey is YKYWVXHVSVSQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15).
What are the key properties of 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole?
5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole has a molecular weight of 230.15 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole is sourced from PubChem (CID 2777350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).