2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine

C14H11F4NO2S — CID 74250665

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(-c2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H11F4NO2S/c1-22(20,21)8-9-2-5-13(19-7-9)11-4-3-10(15)6-12(11)14(16,17)18/h2-7H,8H2,1H3
InChIKeyYWXLMUDAJWTGPA-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.45
Rot. Bonds3

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine

2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine (PubChem CID 74250665) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine
PubChem CID74250665
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ccc(-c2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H11F4NO2S/c1-22(20,21)8-9-2-5-13(19-7-9)11-4-3-10(15)6-12(11)14(16,17)18/h2-7H,8H2,1H3
InChIKeyYWXLMUDAJWTGPA-UHFFFAOYSA-N
XLogP3.45
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine (CID 74250665) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine is CS(=O)(=O)Cc1ccc(-c2ccc(F)cc2C(F)(F)F)nc1.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine?
The InChIKey is YWXLMUDAJWTGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-22(20,21)8-9-2-5-13(19-7-9)11-4-3-10(15)6-12(11)14(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine has a molecular weight of 333.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 74250665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).