3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine

C12H6F5NO2 — CID 90008186

IUPAC3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESFc1cncc(F)c1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H6F5NO2/c13-9-5-18-6-10(14)11(9)19-7-1-3-8(4-2-7)20-12(15,16)17/h1-6H
InChIKeyVKUAWBXXWHRLBD-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.05
Rot. Bonds3

About 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine

3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 90008186) has the molecular formula C12H6F5NO2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
PubChem CID90008186
Molecular FormulaC12H6F5NO2
Molecular Weight291.18 g/mol
Exact Mass291.03
IUPAC Name3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESFc1cncc(F)c1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H6F5NO2/c13-9-5-18-6-10(14)11(9)19-7-1-3-8(4-2-7)20-12(15,16)17/h1-6H
InChIKeyVKUAWBXXWHRLBD-UHFFFAOYSA-N
XLogP4.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
CID 178076427
3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine
CID 156817565
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
trifluoromethoxybenzene
CID 157402708
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine (CID 90008186) is 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine is Fc1cncc(F)c1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is VKUAWBXXWHRLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO2/c13-9-5-18-6-10(14)11(9)19-7-1-3-8(4-2-7)20-12(15,16)17/h1-6H.
What are the key properties of 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine?
3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 291.18 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 90008186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).