2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one

C18H12F2O2 — CID 171925770

IUPAC2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one
SMILESO=C1c2cc(=C3C=CC=CC3)oc2=C2C=CC=CC2C1(F)F
InChIInChI=1S/C18H12F2O2/c19-18(20)14-9-5-4-8-12(14)16-13(17(18)21)10-15(22-16)11-6-2-1-3-7-11/h1-6,8-10,14H,7H2
InChIKeyJLINAAVYJYKLKG-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.67
Rot. Bonds

About 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one

2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one (PubChem CID 171925770) has the molecular formula C18H12F2O2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one
PubChem CID171925770
Molecular FormulaC18H12F2O2
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one
SMILESO=C1c2cc(=C3C=CC=CC3)oc2=C2C=CC=CC2C1(F)F
InChIInChI=1S/C18H12F2O2/c19-18(20)14-9-5-4-8-12(14)16-13(17(18)21)10-15(22-16)11-6-2-1-3-7-11/h1-6,8-10,14H,7H2
InChIKeyJLINAAVYJYKLKG-UHFFFAOYSA-N
XLogP2.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one (CID 171925770) is 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one is O=C1c2cc(=C3C=CC=CC3)oc2=C2C=CC=CC2C1(F)F.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one?
The InChIKey is JLINAAVYJYKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2O2/c19-18(20)14-9-5-4-8-12(14)16-13(17(18)21)10-15(22-16)11-6-2-1-3-7-11/h1-6,8-10,14H,7H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one?
2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one has a molecular weight of 298.29 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylidene-5,5-difluoro-5aH-benzo[g][1]benzofuran-4-one is sourced from PubChem (CID 171925770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).