2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane

C14H10F8OS — CID 102427548

IUPAC2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane
SMILESF/C(=C\C1(c2ccccc2)OCCS1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F8OS/c15-10(12(16,17)13(18,19)14(20,21)22)8-11(23-6-7-24-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyPLOSJPPTVOLRAB-NTMALXAHSA-N
MW378.28 g/mol
LogP5.29
Rot. Bonds4

About 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane

2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane (PubChem CID 102427548) has the molecular formula C14H10F8OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane
PubChem CID102427548
Molecular FormulaC14H10F8OS
Molecular Weight378.28 g/mol
Exact Mass378.03
IUPAC Name2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane
SMILESF/C(=C\C1(c2ccccc2)OCCS1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F8OS/c15-10(12(16,17)13(18,19)14(20,21)22)8-11(23-6-7-24-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyPLOSJPPTVOLRAB-NTMALXAHSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane?
The IUPAC name of 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane (CID 102427548) is 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane.
What is the SMILES notation for 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane?
The canonical SMILES for 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane is F/C(=C\C1(c2ccccc2)OCCS1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane?
The InChIKey is PLOSJPPTVOLRAB-NTMALXAHSA-N. The full InChI is InChI=1S/C14H10F8OS/c15-10(12(16,17)13(18,19)14(20,21)22)8-11(23-6-7-24-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-.
What are the key properties of 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane?
2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane has a molecular weight of 378.28 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,3,3,4,4,5,5,5-octafluoropent-1-enyl]-2-phenyl-1,3-oxathiolane is sourced from PubChem (CID 102427548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).