5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole

C8H4BrClF3N3S — CID 172773128

IUPAC5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole
SMILESFC(F)(F)Cn1nncc1-c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H4BrClF3N3S/c9-7-4(10)1-6(17-7)5-2-14-15-16(5)3-8(11,12)13/h1-2H,3H2
InChIKeyNFOAASJDIROKKY-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.98
Rot. Bonds2

About 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole

5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole (PubChem CID 172773128) has the molecular formula C8H4BrClF3N3S and a molecular weight of 346.56 g/mol. Its IUPAC name is 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole.

Molecular Properties

Compound Name5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole
PubChem CID172773128
Molecular FormulaC8H4BrClF3N3S
Molecular Weight346.56 g/mol
Exact Mass344.89
IUPAC Name5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole
SMILESFC(F)(F)Cn1nncc1-c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H4BrClF3N3S/c9-7-4(10)1-6(17-7)5-2-14-15-16(5)3-8(11,12)13/h1-2H,3H2
InChIKeyNFOAASJDIROKKY-UHFFFAOYSA-N
XLogP3.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole?
The IUPAC name of 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole (CID 172773128) is 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole.
What is the SMILES notation for 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole?
The canonical SMILES for 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole is FC(F)(F)Cn1nncc1-c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole?
The InChIKey is NFOAASJDIROKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF3N3S/c9-7-4(10)1-6(17-7)5-2-14-15-16(5)3-8(11,12)13/h1-2H,3H2.
What are the key properties of 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole?
5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole has a molecular weight of 346.56 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-chlorothiophen-2-yl)-1-(2,2,2-trifluoroethyl)triazole is sourced from PubChem (CID 172773128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).