3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

C10H9F11S — CID 12828094

IUPAC3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCC(C)(C)SC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F11S/c1-6(2,3)22-5(7(11,12)10(19,20)21)4(8(13,14)15)9(16,17)18/h1-3H3
InChIKeyZTKBGDXVVDOUKP-UHFFFAOYSA-N
MW370.23 g/mol
LogP6.09
Rot. Bonds2

About 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (PubChem CID 12828094) has the molecular formula C10H9F11S and a molecular weight of 370.23 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
PubChem CID12828094
Molecular FormulaC10H9F11S
Molecular Weight370.23 g/mol
Exact Mass370.02
IUPAC Name3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCC(C)(C)SC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F11S/c1-6(2,3)22-5(7(11,12)10(19,20)21)4(8(13,14)15)9(16,17)18/h1-3H3
InChIKeyZTKBGDXVVDOUKP-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (CID 12828094) is 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is CC(C)(C)SC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The InChIKey is ZTKBGDXVVDOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11S/c1-6(2,3)22-5(7(11,12)10(19,20)21)4(8(13,14)15)9(16,17)18/h1-3H3.
What are the key properties of 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene has a molecular weight of 370.23 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12828094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).