1-ethylsulfanyl-4-(fluoromethyl)benzene

C9H11FS — CID 59582182

IUPAC1-ethylsulfanyl-4-(fluoromethyl)benzene
SMILESCCSc1ccc(CF)cc1
InChIInChI=1S/C9H11FS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
InChIKeyKAQSKXSZKUGFKN-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.27
Rot. Bonds3

About 1-ethylsulfanyl-4-(fluoromethyl)benzene

1-ethylsulfanyl-4-(fluoromethyl)benzene (PubChem CID 59582182) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(fluoromethyl)benzene
PubChem CID59582182
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name1-ethylsulfanyl-4-(fluoromethyl)benzene
SMILESCCSc1ccc(CF)cc1
InChIInChI=1S/C9H11FS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
InChIKeyKAQSKXSZKUGFKN-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(fluoromethyl)benzene?
The IUPAC name of 1-ethylsulfanyl-4-(fluoromethyl)benzene (CID 59582182) is 1-ethylsulfanyl-4-(fluoromethyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-4-(fluoromethyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-4-(fluoromethyl)benzene is CCSc1ccc(CF)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-(fluoromethyl)benzene?
The InChIKey is KAQSKXSZKUGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethylsulfanyl-4-(fluoromethyl)benzene?
1-ethylsulfanyl-4-(fluoromethyl)benzene has a molecular weight of 170.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(fluoromethyl)benzene is sourced from PubChem (CID 59582182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).