2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene

C10H11F3O2S — CID 146493761

IUPAC2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene
SMILESFC(F)(F)SOCCOCc1ccccc1
InChIInChI=1S/C10H11F3O2S/c11-10(12,13)16-15-7-6-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyFXNYYRUKCBXQOS-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.39
Rot. Bonds6

About 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene

2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene (PubChem CID 146493761) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene
PubChem CID146493761
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene
SMILESFC(F)(F)SOCCOCc1ccccc1
InChIInChI=1S/C10H11F3O2S/c11-10(12,13)16-15-7-6-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyFXNYYRUKCBXQOS-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
2-(2-phenylmethoxyethoxy)ethoxy thiohypoiodite
CID 146179686
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
trifluoro-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]boranuide
CID 91659041
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine
CID 87162454

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene?
The IUPAC name of 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene (CID 146493761) is 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene.
What is the SMILES notation for 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene?
The canonical SMILES for 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene is FC(F)(F)SOCCOCc1ccccc1.
What is the InChIKey of 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene?
The InChIKey is FXNYYRUKCBXQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c11-10(12,13)16-15-7-6-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene?
2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene has a molecular weight of 252.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene is sourced from PubChem (CID 146493761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).