2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine

C16H16F3NO2 — CID 23380549

IUPAC2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCOCc2ccccc2)n1
InChIInChI=1S/C16H16F3NO2/c1-12-9-14(16(17,18)19)10-15(20-12)22-8-7-21-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyXRGFIBZYXCIRRP-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380549) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380549
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCOCc2ccccc2)n1
InChIInChI=1S/C16H16F3NO2/c1-12-9-14(16(17,18)19)10-15(20-12)22-8-7-21-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyXRGFIBZYXCIRRP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine (CID 23380549) is 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCCOCc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is XRGFIBZYXCIRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-12-9-14(16(17,18)19)10-15(20-12)22-8-7-21-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 311.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenylmethoxyethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).