4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine

C21H13F8NO — CID 18359733

IUPAC4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C21H13F8NO/c1-2-15-16(22)18(11-6-8-12(9-7-11)20(24,25)26)30-19(17(15)23)31-14-5-3-4-13(10-14)21(27,28)29/h3-10H,2H2,1H3
InChIKeyQTOYHIFXVJRGLB-UHFFFAOYSA-N
MW447.33 g/mol
LogP7.42
Rot. Bonds4

About 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine

4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 18359733) has the molecular formula C21H13F8NO and a molecular weight of 447.33 g/mol. Its IUPAC name is 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID18359733
Molecular FormulaC21H13F8NO
Molecular Weight447.33 g/mol
Exact Mass447.09
IUPAC Name4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C21H13F8NO/c1-2-15-16(22)18(11-6-8-12(9-7-11)20(24,25)26)30-19(17(15)23)31-14-5-3-4-13(10-14)21(27,28)29/h3-10H,2H2,1H3
InChIKeyQTOYHIFXVJRGLB-UHFFFAOYSA-N
XLogP7.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910964
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
[4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 61255509
ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
3-[[3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
CID 11122714
4-methyl-5-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545032
3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11750924
3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
CID 6415102
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine (CID 18359733) is 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine is CCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is QTOYHIFXVJRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F8NO/c1-2-15-16(22)18(11-6-8-12(9-7-11)20(24,25)26)30-19(17(15)23)31-14-5-3-4-13(10-14)21(27,28)29/h3-10H,2H2,1H3.
What are the key properties of 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine?
4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 447.33 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 18359733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).