1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene

C15H12ClF3OS — CID 71038657

IUPAC1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene
SMILESCCSc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3OS/c1-2-21-12-6-3-10(4-7-12)20-11-5-8-14(16)13(9-11)15(17,18)19/h3-9H,2H2,1H3
InChIKeyLUNVPCUHZVWPAS-UHFFFAOYSA-N
MW332.77 g/mol
LogP6.26
Rot. Bonds4

About 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene

1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene (PubChem CID 71038657) has the molecular formula C15H12ClF3OS and a molecular weight of 332.77 g/mol. Its IUPAC name is 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene
PubChem CID71038657
Molecular FormulaC15H12ClF3OS
Molecular Weight332.77 g/mol
Exact Mass332.02
IUPAC Name1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene
SMILESCCSc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12ClF3OS/c1-2-21-12-6-3-10(4-7-12)20-11-5-8-14(16)13(9-11)15(17,18)19/h3-9H,2H2,1H3
InChIKeyLUNVPCUHZVWPAS-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.77
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(3-(4-Chloro-3-(trifluoromethyl)phenoxy)propoxy)phenylthio)hexanoic acid
CID 45271112
1,3-Dichloro-2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]benzene
CID 2744518
1-(4-Chlorophenylthio)methoxy-3-trifluoromethylbenzene
CID 13097729
1,3-Dichloro-5-[3,3-difluoro-3-(3-methyl-4-methylsulfanylphenoxy)prop-1-en-2-yl]benzene
CID 164523741
(4-(4-Chlorophenoxy)phenyl)(methyl)sulfane
CID 9816397
4-(4-Chloro-3-methylphenoxy)butyl thiocyanate
CID 40556349
1-Chloro-4-[[4-(methylthio)phenoxy]methyl]benzene
CID 19797095
2-Chloro-1-(4-methylsulfanylphenoxy)-4-(trifluoromethyl)benzene
CID 20370660
1,3-Dichloro-2-(3-methyl-4-methylsulfanylphenoxy)-5-(trifluoromethyl)benzene
CID 20370669
2-Chloro-1-[(4-methoxyphenyl)sulfanyl]-4-(trifluoromethyl)benzene
CID 22761246
1-Methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]benzene
CID 22985883
1-Chloro-4-(4-methylphenoxy)-2-(trifluoromethyl)benzene
CID 54371683

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene (CID 71038657) is 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene is CCSc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene?
The InChIKey is LUNVPCUHZVWPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3OS/c1-2-21-12-6-3-10(4-7-12)20-11-5-8-14(16)13(9-11)15(17,18)19/h3-9H,2H2,1H3.
What are the key properties of 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene?
1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene has a molecular weight of 332.77 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-ethylsulfanylphenoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 71038657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).