(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane

C8H13F3O2S — CID 125483446

IUPAC(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane
SMILESFC(F)(F)SCCO[C@@H]1CCCCO1
InChIInChI=1S/C8H13F3O2S/c9-8(10,11)14-6-5-13-7-3-1-2-4-12-7/h7H,1-6H2/t7-/m1/s1
InChIKeyICZOSHQTQANUQH-SSDOTTSWSA-N
MW230.25 g/mol
LogP2.78
Rot. Bonds4

About (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane

(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane (PubChem CID 125483446) has the molecular formula C8H13F3O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane
PubChem CID125483446
Molecular FormulaC8H13F3O2S
Molecular Weight230.25 g/mol
Exact Mass230.06
IUPAC Name(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane
SMILESFC(F)(F)SCCO[C@@H]1CCCCO1
InChIInChI=1S/C8H13F3O2S/c9-8(10,11)14-6-5-13-7-3-1-2-4-12-7/h7H,1-6H2/t7-/m1/s1
InChIKeyICZOSHQTQANUQH-SSDOTTSWSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Trifluoromethylsulfanyl)ethoxy]oxane
CID 162411437
2-(3,3,3-Trifluoropropylsulfanylmethoxy)oxane
CID 59366572
2-(1,1,1-Trifluoropropan-2-ylsulfanylmethoxy)oxane
CID 70880646
2-[7-[4-(Trifluoromethylsulfanyl)butoxy]heptoxy]oxane
CID 70948234
2H-Pyran, 2-[2-(ethynylthio)ethoxy]tetrahydro-
CID 11126997
(2S)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane
CID 125483449
2-(2-Methylsulfanylethoxy)oxane
CID 89031036

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane?
The IUPAC name of (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane (CID 125483446) is (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane.
What is the SMILES notation for (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane?
The canonical SMILES for (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane is FC(F)(F)SCCO[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane?
The InChIKey is ICZOSHQTQANUQH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F3O2S/c9-8(10,11)14-6-5-13-7-3-1-2-4-12-7/h7H,1-6H2/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane?
(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane has a molecular weight of 230.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane is sourced from PubChem (CID 125483446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).