2-(3,3,3-trifluoropropylsulfanyl)ethanol

C5H9F3OS — CID 64567144

IUPAC2-(3,3,3-trifluoropropylsulfanyl)ethanol
SMILESOCCSCCC(F)(F)F
InChIInChI=1S/C5H9F3OS/c6-5(7,8)1-3-10-4-2-9/h9H,1-4H2
InChIKeyIHXZIAVZLCFFEJ-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.66
Rot. Bonds4

About 2-(3,3,3-trifluoropropylsulfanyl)ethanol

2-(3,3,3-trifluoropropylsulfanyl)ethanol (PubChem CID 64567144) has the molecular formula C5H9F3OS and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylsulfanyl)ethanol
PubChem CID64567144
Molecular FormulaC5H9F3OS
Molecular Weight174.19 g/mol
Exact Mass174.03
IUPAC Name2-(3,3,3-trifluoropropylsulfanyl)ethanol
SMILESOCCSCCC(F)(F)F
InChIInChI=1S/C5H9F3OS/c6-5(7,8)1-3-10-4-2-9/h9H,1-4H2
InChIKeyIHXZIAVZLCFFEJ-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylsulfanyl)ethanol?
The IUPAC name of 2-(3,3,3-trifluoropropylsulfanyl)ethanol (CID 64567144) is 2-(3,3,3-trifluoropropylsulfanyl)ethanol.
What is the SMILES notation for 2-(3,3,3-trifluoropropylsulfanyl)ethanol?
The canonical SMILES for 2-(3,3,3-trifluoropropylsulfanyl)ethanol is OCCSCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylsulfanyl)ethanol?
The InChIKey is IHXZIAVZLCFFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3OS/c6-5(7,8)1-3-10-4-2-9/h9H,1-4H2.
What are the key properties of 2-(3,3,3-trifluoropropylsulfanyl)ethanol?
2-(3,3,3-trifluoropropylsulfanyl)ethanol has a molecular weight of 174.19 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylsulfanyl)ethanol is sourced from PubChem (CID 64567144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).