4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine

C9H4ClF3N2S — CID 116903681

IUPAC4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H4ClF3N2S/c10-7-2-1-6(16-7)5-3-4-14-8(15-5)9(11,12)13/h1-4H
InChIKeyUJZUTPAWHHZTNM-UHFFFAOYSA-N
MW264.66 g/mol
LogP3.88
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine

4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903681) has the molecular formula C9H4ClF3N2S and a molecular weight of 264.66 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903681
Molecular FormulaC9H4ClF3N2S
Molecular Weight264.66 g/mol
Exact Mass263.97
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H4ClF3N2S/c10-7-2-1-6(16-7)5-3-4-14-8(15-5)9(11,12)13/h1-4H
InChIKeyUJZUTPAWHHZTNM-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine (CID 116903681) is 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is UJZUTPAWHHZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2S/c10-7-2-1-6(16-7)5-3-4-14-8(15-5)9(11,12)13/h1-4H.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine?
4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 264.66 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).