4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol

C14H9F3N4O2 — CID 122501633

IUPAC4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)23-12-7-1-9(2-8-12)13-18-19-20-21(13)10-3-5-11(22)6-4-10/h1-8,22H
InChIKeyZFICUKLFKAMKJE-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.93
Rot. Bonds3

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

4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol (PubChem CID 122501633) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol
PubChem CID122501633
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)23-12-7-1-9(2-8-12)13-18-19-20-21(13)10-3-5-11(22)6-4-10/h1-8,22H
InChIKeyZFICUKLFKAMKJE-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol (CID 122501633) is 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol?
The InChIKey is ZFICUKLFKAMKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)23-12-7-1-9(2-8-12)13-18-19-20-21(13)10-3-5-11(22)6-4-10/h1-8,22H.
What are the key properties of 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol?
4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol has a molecular weight of 322.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(trifluoromethoxy)phenyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 122501633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).