2-(4,4,4-trifluorobutylsulfanyl)ethanol

C6H11F3OS — CID 115514823

IUPAC2-(4,4,4-trifluorobutylsulfanyl)ethanol
SMILESOCCSCCCC(F)(F)F
InChIInChI=1S/C6H11F3OS/c7-6(8,9)2-1-4-11-5-3-10/h10H,1-5H2
InChIKeyGFZLSLHMFUNCPW-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.05
Rot. Bonds5

About 2-(4,4,4-trifluorobutylsulfanyl)ethanol

2-(4,4,4-trifluorobutylsulfanyl)ethanol (PubChem CID 115514823) has the molecular formula C6H11F3OS and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfanyl)ethanol
PubChem CID115514823
Molecular FormulaC6H11F3OS
Molecular Weight188.21 g/mol
Exact Mass188.05
IUPAC Name2-(4,4,4-trifluorobutylsulfanyl)ethanol
SMILESOCCSCCCC(F)(F)F
InChIInChI=1S/C6H11F3OS/c7-6(8,9)2-1-4-11-5-3-10/h10H,1-5H2
InChIKeyGFZLSLHMFUNCPW-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.05
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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Related Compounds

2-[(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)sulfanyl]ethanol
CID 13859683
3-(Perfluorobutylthio)propanol
CID 86094481
3-((Trifluoromethyl)thio)-1-propanol
CID 18620450
2-[(2,2,2-Trifluoroethyl)sulfanyl]ethan-1-ol
CID 19828056
2,2-Difluoro-3-(methylsulfanyl)propan-1-ol
CID 163592080
Ethanol, 2-[(nonafluorobutyl)thio]-
CID 12086521
4-(Trifluoromethylthio)butan-1-ol
CID 17930175
3-(2-Fluoropropylsulfanyl)propan-1-ol
CID 19873153
2-(4,4,5,5,5-Pentafluoropentylthio)ethan-1-ol
CID 22033252
2-(2-Fluoroethylsulfanyl)ethanol
CID 54141955
2-(3,4,4,4-Tetrafluoro-3-trifluoromethyl-butylsulfanyl)-ethanol
CID 57709865
3,3,3-Trifluoropropylsulfanylmethanol
CID 59366534

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfanyl)ethanol?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfanyl)ethanol (CID 115514823) is 2-(4,4,4-trifluorobutylsulfanyl)ethanol.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfanyl)ethanol?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfanyl)ethanol is OCCSCCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfanyl)ethanol?
The InChIKey is GFZLSLHMFUNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3OS/c7-6(8,9)2-1-4-11-5-3-10/h10H,1-5H2.
What are the key properties of 2-(4,4,4-trifluorobutylsulfanyl)ethanol?
2-(4,4,4-trifluorobutylsulfanyl)ethanol has a molecular weight of 188.21 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylsulfanyl)ethanol is sourced from PubChem (CID 115514823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).