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

C9H8ClF3S — CID 91876352

IUPAC1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
SMILESCCSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H8ClF3S/c1-2-14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,2H2,1H3
InChIKeyIPWFEZZOVVPFPL-UHFFFAOYSA-N
MW240.68 g/mol
LogP4.47
Rot. Bonds2

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

1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene (PubChem CID 91876352) has the molecular formula C9H8ClF3S and a molecular weight of 240.68 g/mol. Its IUPAC name is 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
PubChem CID91876352
Molecular FormulaC9H8ClF3S
Molecular Weight240.68 g/mol
Exact Mass240.00
IUPAC Name1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
SMILESCCSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H8ClF3S/c1-2-14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,2H2,1H3
InChIKeyIPWFEZZOVVPFPL-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.68
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethylsulfanyl-1-methyl-2-(trifluoromethyl)benzene
CID 91876360
[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol
CID 79018308
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
2-chloro-4-ethylsulfanyl-1-fluorobenzene
CID 55220710
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 8789742
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide
CID 8789689
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52972735
N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4847268
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene (CID 91876352) is 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene is CCSc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene?
The InChIKey is IPWFEZZOVVPFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3S/c1-2-14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene?
1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene has a molecular weight of 240.68 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91876352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).