1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

C16H12F6O2 — CID 88966843

IUPAC1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESFC(F)=C(F)OC1=CC=C(C2=CC=C(OC(F)=C(F)F)CC2)CC1
InChIInChI=1S/C16H12F6O2/c17-13(18)15(21)23-11-5-1-9(2-6-11)10-3-7-12(8-4-10)24-16(22)14(19)20/h1,3,5,7H,2,4,6,8H2
InChIKeyDWKXZQKKNVOZKO-UHFFFAOYSA-N
MW350.26 g/mol
LogP6.30
Rot. Bonds5

About 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 88966843) has the molecular formula C16H12F6O2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
PubChem CID88966843
Molecular FormulaC16H12F6O2
Molecular Weight350.26 g/mol
Exact Mass350.07
IUPAC Name1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
SMILESFC(F)=C(F)OC1=CC=C(C2=CC=C(OC(F)=C(F)F)CC2)CC1
InChIInChI=1S/C16H12F6O2/c17-13(18)15(21)23-11-5-1-9(2-6-11)10-3-7-12(8-4-10)24-16(22)14(19)20/h1,3,5,7H,2,4,6,8H2
InChIKeyDWKXZQKKNVOZKO-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 88966843) is 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is FC(F)=C(F)OC1=CC=C(C2=CC=C(OC(F)=C(F)F)CC2)CC1.
What is the InChIKey of 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
The InChIKey is DWKXZQKKNVOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O2/c17-13(18)15(21)23-11-5-1-9(2-6-11)10-3-7-12(8-4-10)24-16(22)14(19)20/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?
1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 350.26 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenoxy)-4-[4-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 88966843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).