4-chloro-2-(2,2-difluoroethoxymethyl)pyridine

C8H8ClF2NO — CID 82005069

IUPAC4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
SMILESFC(F)COCc1cc(Cl)ccn1
InChIInChI=1S/C8H8ClF2NO/c9-6-1-2-12-7(3-6)4-13-5-8(10)11/h1-3,8H,4-5H2
InChIKeyWXMUDEVLIICVMS-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.52
Rot. Bonds4

About 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine

4-chloro-2-(2,2-difluoroethoxymethyl)pyridine (PubChem CID 82005069) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
PubChem CID82005069
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
SMILESFC(F)COCc1cc(Cl)ccn1
InChIInChI=1S/C8H8ClF2NO/c9-6-1-2-12-7(3-6)4-13-5-8(10)11/h1-3,8H,4-5H2
InChIKeyWXMUDEVLIICVMS-UHFFFAOYSA-N
XLogP2.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(2,2-difluoroethoxymethyl)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-(2,2-difluoroethoxymethyl)pyridine?
The IUPAC name of 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine (CID 82005069) is 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine?
The canonical SMILES for 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine is FC(F)COCc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine?
The InChIKey is WXMUDEVLIICVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-6-1-2-12-7(3-6)4-13-5-8(10)11/h1-3,8H,4-5H2.
What are the key properties of 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine?
4-chloro-2-(2,2-difluoroethoxymethyl)pyridine has a molecular weight of 207.61 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-difluoroethoxymethyl)pyridine is sourced from PubChem (CID 82005069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).