4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine

C10H4F6N2S — CID 11185593

IUPAC4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H4F6N2S/c11-9(12,13)7-4-5(6-2-1-3-19-6)17-8(18-7)10(14,15)16/h1-4H
InChIKeyMIXAWDWSEXAZSS-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.24
Rot. Bonds1

About 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine

4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine (PubChem CID 11185593) has the molecular formula C10H4F6N2S and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine
PubChem CID11185593
Molecular FormulaC10H4F6N2S
Molecular Weight298.21 g/mol
Exact Mass298.00
IUPAC Name4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H4F6N2S/c11-9(12,13)7-4-5(6-2-1-3-19-6)17-8(18-7)10(14,15)16/h1-4H
InChIKeyMIXAWDWSEXAZSS-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine?
The IUPAC name of 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine (CID 11185593) is 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine?
The InChIKey is MIXAWDWSEXAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2S/c11-9(12,13)7-4-5(6-2-1-3-19-6)17-8(18-7)10(14,15)16/h1-4H.
What are the key properties of 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine?
4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine has a molecular weight of 298.21 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-2,6-bis(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11185593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).