[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol

C10H11F3OS — CID 79018308

IUPAC[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol
SMILESCCSc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3OS/c1-2-15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,14H,2,6H2,1H3
InChIKeyGLQKWQXECWDZLW-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.31
Rot. Bonds3

About [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol

[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol (PubChem CID 79018308) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol
PubChem CID79018308
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol
SMILESCCSc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3OS/c1-2-15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,14H,2,6H2,1H3
InChIKeyGLQKWQXECWDZLW-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol (CID 79018308) is [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol is CCSc1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is GLQKWQXECWDZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-2-15-8-4-3-7(6-14)9(5-8)10(11,12)13/h3-5,14H,2,6H2,1H3.
What are the key properties of [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol?
[4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 236.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethylsulfanyl-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 79018308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).