4-[5-(trifluoromethyl)tetrazol-1-yl]phenol

C8H5F3N4O — CID 21197249

IUPAC4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7-12-13-14-15(7)5-1-3-6(16)4-2-5/h1-4,16H
InChIKeyUOYXRXIWIBKGOM-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.39
Rot. Bonds1

About 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol

4-[5-(trifluoromethyl)tetrazol-1-yl]phenol (PubChem CID 21197249) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
PubChem CID21197249
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7-12-13-14-15(7)5-1-3-6(16)4-2-5/h1-4,16H
InChIKeyUOYXRXIWIBKGOM-UHFFFAOYSA-N
XLogP1.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde;4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 160565992
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
CID 15470711
[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] 2-methylpropanoate
CID 24797877
1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117996
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
1-(3-bromo-4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 10947253
4-[5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]tetrazol-1-yl]phenol
CID 60912121
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
methyl 2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzoate
CID 18464579
2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzonitrile
CID 85196378

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol (CID 21197249) is 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2C(F)(F)F)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol?
The InChIKey is UOYXRXIWIBKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)7-12-13-14-15(7)5-1-3-6(16)4-2-5/h1-4,16H.
What are the key properties of 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol?
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol has a molecular weight of 230.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 21197249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).