3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol

C6H11F3OS2 — CID 116616904

IUPAC3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCSC(F)(F)F
InChIInChI=1S/C6H11F3OS2/c7-6(8,9)12-5-4-11-3-1-2-10/h10H,1-5H2
InChIKeyWBKRVRQPSXAAPH-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.36
Rot. Bonds6

About 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol

3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol (PubChem CID 116616904) has the molecular formula C6H11F3OS2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol
PubChem CID116616904
Molecular FormulaC6H11F3OS2
Molecular Weight220.28 g/mol
Exact Mass220.02
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCSC(F)(F)F
InChIInChI=1S/C6H11F3OS2/c7-6(8,9)12-5-4-11-3-1-2-10/h10H,1-5H2
InChIKeyWBKRVRQPSXAAPH-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-[5-(5-hydroxypentylselanyl)pentylsulfanyl]pentan-1-ol
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3-(2,2,2-trifluoroethoxymethylsulfanyl)propan-1-ol
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2-[4,5,5-trifluoro-5-(2-hydroxyethylsulfanyl)pentyl]sulfanylethanol
CID 100924794
1-(3-hydroxypropylsulfanyl)pentan-3-ol
CID 153445039
1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
CID 116616183
3-(trifluoromethylsulfanyl)propan-1-amine chloride
CID 75530535
3-[2-[(2,2-difluoro-2-phenylethyl)amino]ethylsulfanyl]propan-1-ol
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3-(cyclobutylmethylsulfanyl)propan-1-ol
CID 66127430

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol (CID 116616904) is 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol is OCCCSCCSC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol?
The InChIKey is WBKRVRQPSXAAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3OS2/c7-6(8,9)12-5-4-11-3-1-2-10/h10H,1-5H2.
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol?
3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol has a molecular weight of 220.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 116616904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).