2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine

C16H16F3NO2 — CID 14279869

IUPAC2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine
SMILESCC(COCc1cccc(Oc2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C16H16F3NO2/c1-12(16(17,18)19)10-21-11-13-6-5-9-15(20-13)22-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3
InChIKeyUTBKRLDLUZRDQG-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.59
Rot. Bonds6

About 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine

2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine (PubChem CID 14279869) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine.

Molecular Properties

Compound Name2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine
PubChem CID14279869
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine
SMILESCC(COCc1cccc(Oc2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C16H16F3NO2/c1-12(16(17,18)19)10-21-11-13-6-5-9-15(20-13)22-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3
InChIKeyUTBKRLDLUZRDQG-UHFFFAOYSA-N
XLogP4.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine?
The IUPAC name of 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine (CID 14279869) is 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine.
What is the SMILES notation for 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine?
The canonical SMILES for 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine is CC(COCc1cccc(Oc2ccccc2)n1)C(F)(F)F.
What is the InChIKey of 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine?
The InChIKey is UTBKRLDLUZRDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-12(16(17,18)19)10-21-11-13-6-5-9-15(20-13)22-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine?
2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine has a molecular weight of 311.30 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine is sourced from PubChem (CID 14279869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).