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

Related Compounds

3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
CID 139750790
1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene
CID 139750786
1-(3,3-dichloroprop-2-enoxy)-5-[4-[4-(trifluoromethoxy)phenoxy]butoxy]naphthalene
CID 139750782
(E)-N-[2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 18430098
(E)-N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 18430274
N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]ethenamine
CID 57318232
2-(3,3-dichloroprop-2-enoxy)aniline
CID 164664249
(E)-5-(3,3-dichloroprop-2-enoxy)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-3,4-dihydro-2H-naphthalen-1-imine
CID 87967546
N-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]butyl]-4-(trifluoromethyl)benzamide
CID 19356543
2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)-1,3-benzoxazole
CID 102133050
5-methyl-4-(2-naphthalen-1-yloxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 151600448
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666

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).