3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine

C20H10F9NO2 — CID 134622968

IUPAC3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(C(F)(F)F)c2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C20H10F9NO2/c21-18(22,23)16-10-30-9-15(11-3-1-5-13(7-11)31-19(24,25)26)17(16)12-4-2-6-14(8-12)32-20(27,28)29/h1-10H
InChIKeyVCIJWWLRUASPOH-UHFFFAOYSA-N
MW467.29 g/mol
LogP7.23
Rot. Bonds4

About 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine

3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 134622968) has the molecular formula C20H10F9NO2 and a molecular weight of 467.29 g/mol. Its IUPAC name is 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID134622968
Molecular FormulaC20H10F9NO2
Molecular Weight467.29 g/mol
Exact Mass467.06
IUPAC Name3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(C(F)(F)F)c2-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C20H10F9NO2/c21-18(22,23)16-10-30-9-15(11-3-1-5-13(7-11)31-19(24,25)26)17(16)12-4-2-6-14(8-12)32-20(27,28)29/h1-10H
InChIKeyVCIJWWLRUASPOH-UHFFFAOYSA-N
XLogP7.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.29
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
CID 134622576
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118854616

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine (CID 134622968) is 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine is FC(F)(F)Oc1cccc(-c2cncc(C(F)(F)F)c2-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is VCIJWWLRUASPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F9NO2/c21-18(22,23)16-10-30-9-15(11-3-1-5-13(7-11)31-19(24,25)26)17(16)12-4-2-6-14(8-12)32-20(27,28)29/h1-10H.
What are the key properties of 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 467.29 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134622968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).