7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole

C11H9ClF3NS — CID 103475019

IUPAC7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
SMILESFC(F)(F)SCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C11H9ClF3NS/c12-9-3-1-2-8-4-5-16(10(8)9)6-7-17-11(13,14)15/h1-5H,6-7H2
InChIKeyYGBBKYJODQSVJQ-UHFFFAOYSA-N
MW279.71 g/mol
LogP4.55
Rot. Bonds3

About 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole

7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole (PubChem CID 103475019) has the molecular formula C11H9ClF3NS and a molecular weight of 279.71 g/mol. Its IUPAC name is 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole.

Molecular Properties

Compound Name7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
PubChem CID103475019
Molecular FormulaC11H9ClF3NS
Molecular Weight279.71 g/mol
Exact Mass279.01
IUPAC Name7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
SMILESFC(F)(F)SCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C11H9ClF3NS/c12-9-3-1-2-8-4-5-16(10(8)9)6-7-17-11(13,14)15/h1-5H,6-7H2
InChIKeyYGBBKYJODQSVJQ-UHFFFAOYSA-N
XLogP4.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole?
The IUPAC name of 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole (CID 103475019) is 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole.
What is the SMILES notation for 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole?
The canonical SMILES for 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole is FC(F)(F)SCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole?
The InChIKey is YGBBKYJODQSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NS/c12-9-3-1-2-8-4-5-16(10(8)9)6-7-17-11(13,14)15/h1-5H,6-7H2.
What are the key properties of 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole?
7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole has a molecular weight of 279.71 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole is sourced from PubChem (CID 103475019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).