2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C14H17F3O2S — CID 65148014

IUPAC2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOC(CC1CCOCC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2S/c15-14(16,17)20-12-3-1-11(2-4-12)13(18)9-10-5-7-19-8-6-10/h1-4,10,13,18H,5-9H2
InChIKeyMIFPKLHBSDNOJU-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.15
Rot. Bonds4

About 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 65148014) has the molecular formula C14H17F3O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID65148014
Molecular FormulaC14H17F3O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOC(CC1CCOCC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2S/c15-14(16,17)20-12-3-1-11(2-4-12)13(18)9-10-5-7-19-8-6-10/h1-4,10,13,18H,5-9H2
InChIKeyMIFPKLHBSDNOJU-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 65148014) is 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is OC(CC1CCOCC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is MIFPKLHBSDNOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2S/c15-14(16,17)20-12-3-1-11(2-4-12)13(18)9-10-5-7-19-8-6-10/h1-4,10,13,18H,5-9H2.
What are the key properties of 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 306.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 65148014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).