4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine

C9H9ClF3NO — CID 82954654

IUPAC4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
SMILESFC(F)(F)CCOCc1cc(Cl)ccn1
InChIInChI=1S/C9H9ClF3NO/c10-7-1-3-14-8(5-7)6-15-4-2-9(11,12)13/h1,3,5H,2,4,6H2
InChIKeyYLWNAFMXNQFMHG-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine

4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine (PubChem CID 82954654) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
PubChem CID82954654
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
SMILESFC(F)(F)CCOCc1cc(Cl)ccn1
InChIInChI=1S/C9H9ClF3NO/c10-7-1-3-14-8(5-7)6-15-4-2-9(11,12)13/h1,3,5H,2,4,6H2
InChIKeyYLWNAFMXNQFMHG-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(3,3,3-trifluoropropoxymethyl)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 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
The IUPAC name of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine (CID 82954654) is 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
The canonical SMILES for 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine is FC(F)(F)CCOCc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
The InChIKey is YLWNAFMXNQFMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-7-1-3-14-8(5-7)6-15-4-2-9(11,12)13/h1,3,5H,2,4,6H2.
What are the key properties of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine has a molecular weight of 239.62 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine is sourced from PubChem (CID 82954654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).