3-methoxy-2-(4,4,4-trifluorobutyl)pyridine

C10H12F3NO — CID 134965135

IUPAC3-methoxy-2-(4,4,4-trifluorobutyl)pyridine
SMILESCOc1cccnc1CCCC(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-15-9-5-3-7-14-8(9)4-2-6-10(11,12)13/h3,5,7H,2,4,6H2,1H3
InChIKeyFUTKDBBLMXGHLM-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.98
Rot. Bonds4

About 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine

3-methoxy-2-(4,4,4-trifluorobutyl)pyridine (PubChem CID 134965135) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine.

Molecular Properties

Compound Name3-methoxy-2-(4,4,4-trifluorobutyl)pyridine
PubChem CID134965135
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-methoxy-2-(4,4,4-trifluorobutyl)pyridine
SMILESCOc1cccnc1CCCC(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-15-9-5-3-7-14-8(9)4-2-6-10(11,12)13/h3,5,7H,2,4,6H2,1H3
InChIKeyFUTKDBBLMXGHLM-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine?
The IUPAC name of 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine (CID 134965135) is 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine.
What is the SMILES notation for 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine?
The canonical SMILES for 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine is COc1cccnc1CCCC(F)(F)F.
What is the InChIKey of 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine?
The InChIKey is FUTKDBBLMXGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-15-9-5-3-7-14-8(9)4-2-6-10(11,12)13/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine?
3-methoxy-2-(4,4,4-trifluorobutyl)pyridine has a molecular weight of 219.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4,4,4-trifluorobutyl)pyridine is sourced from PubChem (CID 134965135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).