fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane

C19H31FO2S — CID 143652407

IUPACfluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(F)(c1ccc(CCOC2CCCCO2)cc1)C(C)C
InChIInChI=1S/C19H31FO2S/c1-15(2)23(20,16(3)4)18-10-8-17(9-11-18)12-14-22-19-7-5-6-13-21-19/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChIKeyUKSPQMYNUPXOGR-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.64
Rot. Bonds7

About fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane

fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane (PubChem CID 143652407) has the molecular formula C19H31FO2S and a molecular weight of 342.52 g/mol. Its IUPAC name is fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Namefluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane
PubChem CID143652407
Molecular FormulaC19H31FO2S
Molecular Weight342.52 g/mol
Exact Mass342.20
IUPAC Namefluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane
SMILESCC(C)S(F)(c1ccc(CCOC2CCCCO2)cc1)C(C)C
InChIInChI=1S/C19H31FO2S/c1-15(2)23(20,16(3)4)18-10-8-17(9-11-18)12-14-22-19-7-5-6-13-21-19/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChIKeyUKSPQMYNUPXOGR-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane?
The IUPAC name of fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane (CID 143652407) is fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane?
The canonical SMILES for fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane is CC(C)S(F)(c1ccc(CCOC2CCCCO2)cc1)C(C)C.
What is the InChIKey of fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane?
The InChIKey is UKSPQMYNUPXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FO2S/c1-15(2)23(20,16(3)4)18-10-8-17(9-11-18)12-14-22-19-7-5-6-13-21-19/h8-11,15-16,19H,5-7,12-14H2,1-4H3.
What are the key properties of fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane?
fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane has a molecular weight of 342.52 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[4-[2-(oxan-2-yloxy)ethyl]phenyl]-di(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 143652407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).