1,3,5-tris(1,2,2-trifluoroethenoxy)benzene

C12H3F9O3 — CID 122715531

IUPAC1,3,5-tris(1,2,2-trifluoroethenoxy)benzene
SMILESFC(F)=C(F)Oc1cc(OC(F)=C(F)F)cc(OC(F)=C(F)F)c1
InChIInChI=1S/C12H3F9O3/c13-7(14)10(19)22-4-1-5(23-11(20)8(15)16)3-6(2-4)24-12(21)9(17)18/h1-3H
InChIKeyIKJGZKGXZGFVFZ-UHFFFAOYSA-N
MW366.14 g/mol
LogP5.93
Rot. Bonds6

About 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene

1,3,5-tris(1,2,2-trifluoroethenoxy)benzene (PubChem CID 122715531) has the molecular formula C12H3F9O3 and a molecular weight of 366.14 g/mol. Its IUPAC name is 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene.

Molecular Properties

Compound Name1,3,5-tris(1,2,2-trifluoroethenoxy)benzene
PubChem CID122715531
Molecular FormulaC12H3F9O3
Molecular Weight366.14 g/mol
Exact Mass365.99
IUPAC Name1,3,5-tris(1,2,2-trifluoroethenoxy)benzene
SMILESFC(F)=C(F)Oc1cc(OC(F)=C(F)F)cc(OC(F)=C(F)F)c1
InChIInChI=1S/C12H3F9O3/c13-7(14)10(19)22-4-1-5(23-11(20)8(15)16)3-6(2-4)24-12(21)9(17)18/h1-3H
InChIKeyIKJGZKGXZGFVFZ-UHFFFAOYSA-N
XLogP5.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.14
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene?
The IUPAC name of 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene (CID 122715531) is 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene.
What is the SMILES notation for 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene?
The canonical SMILES for 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene is FC(F)=C(F)Oc1cc(OC(F)=C(F)F)cc(OC(F)=C(F)F)c1.
What is the InChIKey of 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene?
The InChIKey is IKJGZKGXZGFVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F9O3/c13-7(14)10(19)22-4-1-5(23-11(20)8(15)16)3-6(2-4)24-12(21)9(17)18/h1-3H.
What are the key properties of 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene?
1,3,5-tris(1,2,2-trifluoroethenoxy)benzene has a molecular weight of 366.14 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(1,2,2-trifluoroethenoxy)benzene is sourced from PubChem (CID 122715531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).