3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

C14H8ClF6NO — CID 2780427

IUPAC3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cccc(OCc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H8ClF6NO/c15-11-5-9(14(19,20)21)6-22-12(11)7-23-10-3-1-2-8(4-10)13(16,17)18/h1-6H,7H2
InChIKeyJJHNJVDRNSQRPK-UHFFFAOYSA-N
MW355.67 g/mol
LogP5.35
Rot. Bonds3

About 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 2780427) has the molecular formula C14H8ClF6NO and a molecular weight of 355.67 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID2780427
Molecular FormulaC14H8ClF6NO
Molecular Weight355.67 g/mol
Exact Mass355.02
IUPAC Name3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESFC(F)(F)c1cccc(OCc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H8ClF6NO/c15-11-5-9(14(19,20)21)6-22-12(11)7-23-10-3-1-2-8(4-10)13(16,17)18/h1-6H,7H2
InChIKeyJJHNJVDRNSQRPK-UHFFFAOYSA-N
XLogP5.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.67
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 116519388
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960
5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-triazol-4-amine
CID 117214169
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-imidazol-2-amine
CID 117191481
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
CID 1484778

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine (CID 2780427) is 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine is FC(F)(F)c1cccc(OCc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is JJHNJVDRNSQRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO/c15-11-5-9(14(19,20)21)6-22-12(11)7-23-10-3-1-2-8(4-10)13(16,17)18/h1-6H,7H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine?
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 355.67 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 2780427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).