2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine

C11H7F3N2S — CID 54295434

IUPAC2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine
SMILESFC(F)(F)c1ccc(Sc2ncccn2)cc1
InChIInChI=1S/C11H7F3N2S/c12-11(13,14)8-2-4-9(5-3-8)17-10-15-6-1-7-16-10/h1-7H
InChIKeySALVAHCQESZRNR-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.65
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine

2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine (PubChem CID 54295434) has the molecular formula C11H7F3N2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine
PubChem CID54295434
Molecular FormulaC11H7F3N2S
Molecular Weight256.25 g/mol
Exact Mass256.03
IUPAC Name2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine
SMILESFC(F)(F)c1ccc(Sc2ncccn2)cc1
InChIInChI=1S/C11H7F3N2S/c12-11(13,14)8-2-4-9(5-3-8)17-10-15-6-1-7-16-10/h1-7H
InChIKeySALVAHCQESZRNR-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine (CID 54295434) is 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine is FC(F)(F)c1ccc(Sc2ncccn2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The InChIKey is SALVAHCQESZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2S/c12-11(13,14)8-2-4-9(5-3-8)17-10-15-6-1-7-16-10/h1-7H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine?
2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine has a molecular weight of 256.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine is sourced from PubChem (CID 54295434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).