ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane

C14H20F4O2S — CID 57270484

IUPACethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane
SMILESCCS(F)(F)(F)(F)c1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C14H20F4O2S/c1-2-21(15,16,17,18)13-8-6-12(7-9-13)11-20-14-5-3-4-10-19-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyZSWNWTXCFUETPH-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.52
Rot. Bonds5

About ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane

ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane (PubChem CID 57270484) has the molecular formula C14H20F4O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane.

Molecular Properties

Compound Nameethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane
PubChem CID57270484
Molecular FormulaC14H20F4O2S
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Nameethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane
SMILESCCS(F)(F)(F)(F)c1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C14H20F4O2S/c1-2-21(15,16,17,18)13-8-6-12(7-9-13)11-20-14-5-3-4-10-19-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyZSWNWTXCFUETPH-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane?
The IUPAC name of ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane (CID 57270484) is ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane.
What is the SMILES notation for ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane?
The canonical SMILES for ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane is CCS(F)(F)(F)(F)c1ccc(COC2CCCCO2)cc1.
What is the InChIKey of ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane?
The InChIKey is ZSWNWTXCFUETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4O2S/c1-2-21(15,16,17,18)13-8-6-12(7-9-13)11-20-14-5-3-4-10-19-14/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane?
ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane has a molecular weight of 328.37 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tetrafluoro-[4-(oxan-2-yloxymethyl)phenyl]-λ6-sulfane is sourced from PubChem (CID 57270484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).