4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine

C17H13F6NO2S — CID 73453968

IUPAC4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine
SMILESCc1cc(OCC=CSC(F)(F)F)nc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F6NO2S/c1-11-8-14(25-6-3-7-27-17(21,22)23)24-15(9-11)26-13-5-2-4-12(10-13)16(18,19)20/h2-5,7-10H,6H2,1H3
InChIKeyYIRGBZDJOKRDDR-UHFFFAOYSA-N
MW409.35 g/mol
LogP6.35
Rot. Bonds6

About 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine

4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine (PubChem CID 73453968) has the molecular formula C17H13F6NO2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine
PubChem CID73453968
Molecular FormulaC17H13F6NO2S
Molecular Weight409.35 g/mol
Exact Mass409.06
IUPAC Name4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine
SMILESCc1cc(OCC=CSC(F)(F)F)nc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F6NO2S/c1-11-8-14(25-6-3-7-27-17(21,22)23)24-15(9-11)26-13-5-2-4-12(10-13)16(18,19)20/h2-5,7-10H,6H2,1H3
InChIKeyYIRGBZDJOKRDDR-UHFFFAOYSA-N
XLogP6.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.35
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine with MolForge

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Related Compounds

4-methyl-2-[(E)-4,4,4-trifluorobut-2-enoxy]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 22572629
2-[3-chloro-3-(trifluoromethylsulfanyl)prop-2-enoxy]-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 91149649
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
CID 91023650
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
CID 91278381
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
4-methyl-6-phenoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine (CID 73453968) is 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine is Cc1cc(OCC=CSC(F)(F)F)nc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine?
The InChIKey is YIRGBZDJOKRDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2S/c1-11-8-14(25-6-3-7-27-17(21,22)23)24-15(9-11)26-13-5-2-4-12(10-13)16(18,19)20/h2-5,7-10H,6H2,1H3.
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine?
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine has a molecular weight of 409.35 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine is sourced from PubChem (CID 73453968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).