3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine

C14H10F5NOS — CID 57389160

IUPAC3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine
SMILESCSc1cncc(F)c1C(F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F5NOS/c1-22-11-7-20-6-10(15)12(11)13(16)8-2-4-9(5-3-8)21-14(17,18)19/h2-7,13H,1H3
InChIKeyVEWOMIKWJKSGPJ-UHFFFAOYSA-N
MW335.30 g/mol
LogP4.90
Rot. Bonds4

About 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine

3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine (PubChem CID 57389160) has the molecular formula C14H10F5NOS and a molecular weight of 335.30 g/mol. Its IUPAC name is 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine.

Molecular Properties

Compound Name3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine
PubChem CID57389160
Molecular FormulaC14H10F5NOS
Molecular Weight335.30 g/mol
Exact Mass335.04
IUPAC Name3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine
SMILESCSc1cncc(F)c1C(F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F5NOS/c1-22-11-7-20-6-10(15)12(11)13(16)8-2-4-9(5-3-8)21-14(17,18)19/h2-7,13H,1H3
InChIKeyVEWOMIKWJKSGPJ-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine?
The IUPAC name of 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine (CID 57389160) is 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine.
What is the SMILES notation for 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine?
The canonical SMILES for 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine is CSc1cncc(F)c1C(F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine?
The InChIKey is VEWOMIKWJKSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NOS/c1-22-11-7-20-6-10(15)12(11)13(16)8-2-4-9(5-3-8)21-14(17,18)19/h2-7,13H,1H3.
What are the key properties of 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine?
3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine has a molecular weight of 335.30 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]-5-methylsulfanylpyridine is sourced from PubChem (CID 57389160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).