1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene

C15H10Cl3F3O2 — CID 20554022

IUPAC1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccc(Oc2ccc(Cl)c(OCCCl)c2)c(Cl)c1
InChIInChI=1S/C15H10Cl3F3O2/c16-5-6-22-14-8-10(2-3-11(14)17)23-13-4-1-9(7-12(13)18)15(19,20)21/h1-4,7-8H,5-6H2
InChIKeyXWWFAZLMQGIFDH-UHFFFAOYSA-N
MW385.60 g/mol
LogP6.42
Rot. Bonds5

About 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene

1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene (PubChem CID 20554022) has the molecular formula C15H10Cl3F3O2 and a molecular weight of 385.60 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
PubChem CID20554022
Molecular FormulaC15H10Cl3F3O2
Molecular Weight385.60 g/mol
Exact Mass383.97
IUPAC Name1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
SMILESFC(F)(F)c1ccc(Oc2ccc(Cl)c(OCCCl)c2)c(Cl)c1
InChIInChI=1S/C15H10Cl3F3O2/c16-5-6-22-14-8-10(2-3-11(14)17)23-13-4-1-9(7-12(13)18)15(19,20)21/h1-4,7-8H,5-6H2
InChIKeyXWWFAZLMQGIFDH-UHFFFAOYSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
5-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]-2-(2,4-dichlorophenyl)-3-oxopentanenitrile
CID 57035626
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
CID 89104061
CID 89104061
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylphenoxy]acetonitrile
CID 20536126
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene (CID 20554022) is 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene is FC(F)(F)c1ccc(Oc2ccc(Cl)c(OCCCl)c2)c(Cl)c1.
What is the InChIKey of 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is XWWFAZLMQGIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F3O2/c16-5-6-22-14-8-10(2-3-11(14)17)23-13-4-1-9(7-12(13)18)15(19,20)21/h1-4,7-8H,5-6H2.
What are the key properties of 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene?
1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 385.60 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 20554022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).