5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine

C16H8F4N6S — CID 4112227

IUPAC5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine
SMILESFc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H8F4N6S/c17-9-3-5-10(6-4-9)26-15(23-24-25-26)11-8-21-14(12-2-1-7-27-12)22-13(11)16(18,19)20/h1-8H
InChIKeyMVHXEQFYJFVGQN-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.01
Rot. Bonds3

About 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine

5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 4112227) has the molecular formula C16H8F4N6S and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine
PubChem CID4112227
Molecular FormulaC16H8F4N6S
Molecular Weight392.34 g/mol
Exact Mass392.05
IUPAC Name5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine
SMILESFc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H8F4N6S/c17-9-3-5-10(6-4-9)26-15(23-24-25-26)11-8-21-14(12-2-1-7-27-12)22-13(11)16(18,19)20/h1-8H
InChIKeyMVHXEQFYJFVGQN-UHFFFAOYSA-N
XLogP4.01
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine (CID 4112227) is 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine is Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is MVHXEQFYJFVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N6S/c17-9-3-5-10(6-4-9)26-15(23-24-25-26)11-8-21-14(12-2-1-7-27-12)22-13(11)16(18,19)20/h1-8H.
What are the key properties of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine?
5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 392.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)tetrazol-5-yl]-2-thiophen-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 4112227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).