2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine

C16H15F4NO — CID 58923251

IUPAC2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine
SMILESCC(c1ccc(C(F)(F)F)cc1)c1ccc(OCCF)nc1
InChIInChI=1S/C16H15F4NO/c1-11(12-2-5-14(6-3-12)16(18,19)20)13-4-7-15(21-10-13)22-9-8-17/h2-7,10-11H,8-9H2,1H3
InChIKeyPHTHKCIJSYKCBT-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.60
Rot. Bonds5

About 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine

2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine (PubChem CID 58923251) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine
PubChem CID58923251
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine
SMILESCC(c1ccc(C(F)(F)F)cc1)c1ccc(OCCF)nc1
InChIInChI=1S/C16H15F4NO/c1-11(12-2-5-14(6-3-12)16(18,19)20)13-4-7-15(21-10-13)22-9-8-17/h2-7,10-11H,8-9H2,1H3
InChIKeyPHTHKCIJSYKCBT-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine?
The IUPAC name of 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine (CID 58923251) is 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine is CC(c1ccc(C(F)(F)F)cc1)c1ccc(OCCF)nc1.
What is the InChIKey of 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine?
The InChIKey is PHTHKCIJSYKCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c1-11(12-2-5-14(6-3-12)16(18,19)20)13-4-7-15(21-10-13)22-9-8-17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine?
2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine has a molecular weight of 313.29 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 58923251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).