2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol

C11H13F3OS2 — CID 43417001

IUPAC2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
SMILESOCCSCCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3OS2/c12-11(13,14)9-2-1-3-10(8-9)17-7-6-16-5-4-15/h1-3,8,15H,4-7H2
InChIKeyGESJJFAHVOALSZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol

2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol (PubChem CID 43417001) has the molecular formula C11H13F3OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
PubChem CID43417001
Molecular FormulaC11H13F3OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol
SMILESOCCSCCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3OS2/c12-11(13,14)9-2-1-3-10(8-9)17-7-6-16-5-4-15/h1-3,8,15H,4-7H2
InChIKeyGESJJFAHVOALSZ-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.52
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

3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]aniline
CID 79128230
3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 2817407
2-methyl-3-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]propan-1-amine
CID 66225210
3-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propan-1-ol
CID 115674934
1-(4-bromobutylsulfanyl)-3-(trifluoromethyl)benzene
CID 43624662
1-(9-bromononylsulfanyl)-3-(trifluoromethyl)benzene
CID 105343453
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]propan-1-amine
CID 66219357
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
2-methyl-2-[methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]propanoic acid
CID 62822309
1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]azetidin-3-ol
CID 63282006
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfanylmethanamine
CID 170424534
[1-amino-1-phosphono-3-[3-(trifluoromethyl)phenyl]sulfanylpropyl]phosphonic acid;trihydrate
CID 173393479

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol (CID 43417001) is 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol is OCCSCCSc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol?
The InChIKey is GESJJFAHVOALSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3OS2/c12-11(13,14)9-2-1-3-10(8-9)17-7-6-16-5-4-15/h1-3,8,15H,4-7H2.
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol?
2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylsulfanyl]ethanol is sourced from PubChem (CID 43417001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).