2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene

C18H12F4O2 — CID 144821120

IUPAC2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene
SMILESFC(F)(c1ccc(C2=CO2)cc1)C(F)(F)c1ccc(C2CO2)cc1
InChIInChI=1S/C18H12F4O2/c19-17(20,13-5-1-11(2-6-13)15-9-23-15)18(21,22)14-7-3-12(4-8-14)16-10-24-16/h1-9,16H,10H2
InChIKeyUEJIGEPGFPUYSV-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.97
Rot. Bonds5

About 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene

2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene (PubChem CID 144821120) has the molecular formula C18H12F4O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene.

Molecular Properties

Compound Name2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene
PubChem CID144821120
Molecular FormulaC18H12F4O2
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Name2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene
SMILESFC(F)(c1ccc(C2=CO2)cc1)C(F)(F)c1ccc(C2CO2)cc1
InChIInChI=1S/C18H12F4O2/c19-17(20,13-5-1-11(2-6-13)15-9-23-15)18(21,22)14-7-3-12(4-8-14)16-10-24-16/h1-9,16H,10H2
InChIKeyUEJIGEPGFPUYSV-UHFFFAOYSA-N
XLogP4.97
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene?
The IUPAC name of 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene (CID 144821120) is 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene.
What is the SMILES notation for 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene?
The canonical SMILES for 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene is FC(F)(c1ccc(C2=CO2)cc1)C(F)(F)c1ccc(C2CO2)cc1.
What is the InChIKey of 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene?
The InChIKey is UEJIGEPGFPUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4O2/c19-17(20,13-5-1-11(2-6-13)15-9-23-15)18(21,22)14-7-3-12(4-8-14)16-10-24-16/h1-9,16H,10H2.
What are the key properties of 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene?
2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene has a molecular weight of 336.28 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,2,2-tetrafluoro-2-[4-(oxiran-2-yl)phenyl]ethyl]phenyl]oxirene is sourced from PubChem (CID 144821120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).