2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene

C22H16Cl3F3O2 — CID 139750750

IUPAC2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene
SMILESFC(F)(F)c1ccc(CCOc2c(Cl)ccc3c(OCC=C(Cl)Cl)cccc23)cc1
InChIInChI=1S/C22H16Cl3F3O2/c23-18-9-8-16-17(2-1-3-19(16)29-13-11-20(24)25)21(18)30-12-10-14-4-6-15(7-5-14)22(26,27)28/h1-9,11H,10,12-13H2
InChIKeyIKDSZWFYHQPXQF-UHFFFAOYSA-N
MW475.72 g/mol
LogP7.83
Rot. Bonds7

About 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene

2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene (PubChem CID 139750750) has the molecular formula C22H16Cl3F3O2 and a molecular weight of 475.72 g/mol. Its IUPAC name is 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene.

Molecular Properties

Compound Name2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene
PubChem CID139750750
Molecular FormulaC22H16Cl3F3O2
Molecular Weight475.72 g/mol
Exact Mass474.02
IUPAC Name2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene
SMILESFC(F)(F)c1ccc(CCOc2c(Cl)ccc3c(OCC=C(Cl)Cl)cccc23)cc1
InChIInChI=1S/C22H16Cl3F3O2/c23-18-9-8-16-17(2-1-3-19(16)29-13-11-20(24)25)21(18)30-12-10-14-4-6-15(7-5-14)22(26,27)28/h1-9,11H,10,12-13H2
InChIKeyIKDSZWFYHQPXQF-UHFFFAOYSA-N
XLogP7.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.72
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene 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 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene?
The IUPAC name of 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene (CID 139750750) is 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene.
What is the SMILES notation for 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene?
The canonical SMILES for 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene is FC(F)(F)c1ccc(CCOc2c(Cl)ccc3c(OCC=C(Cl)Cl)cccc23)cc1.
What is the InChIKey of 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene?
The InChIKey is IKDSZWFYHQPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3F3O2/c23-18-9-8-16-17(2-1-3-19(16)29-13-11-20(24)25)21(18)30-12-10-14-4-6-15(7-5-14)22(26,27)28/h1-9,11H,10,12-13H2.
What are the key properties of 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene?
2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene has a molecular weight of 475.72 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene is sourced from PubChem (CID 139750750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).