3-(3,4-difluorophenyl)acenaphthylene-1,2-dione

C18H8F2O2 — CID 175200912

IUPAC3-(3,4-difluorophenyl)acenaphthylene-1,2-dione
SMILESO=C1C(=O)c2c(-c3ccc(F)c(F)c3)ccc3cccc1c23
InChIInChI=1S/C18H8F2O2/c19-13-7-5-10(8-14(13)20)11-6-4-9-2-1-3-12-15(9)16(11)18(22)17(12)21/h1-8H
InChIKeyRRHNKZRHHSCSDY-UHFFFAOYSA-N
MW294.26 g/mol
LogP4.16
Rot. Bonds1

About 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione

3-(3,4-difluorophenyl)acenaphthylene-1,2-dione (PubChem CID 175200912) has the molecular formula C18H8F2O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)acenaphthylene-1,2-dione
PubChem CID175200912
Molecular FormulaC18H8F2O2
Molecular Weight294.26 g/mol
Exact Mass294.05
IUPAC Name3-(3,4-difluorophenyl)acenaphthylene-1,2-dione
SMILESO=C1C(=O)c2c(-c3ccc(F)c(F)c3)ccc3cccc1c23
InChIInChI=1S/C18H8F2O2/c19-13-7-5-10(8-14(13)20)11-6-4-9-2-1-3-12-15(9)16(11)18(22)17(12)21/h1-8H
InChIKeyRRHNKZRHHSCSDY-UHFFFAOYSA-N
XLogP4.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(hydroxymethyl)phenyl]acenaphthylene-1,2-dione
CID 174915839
1-phenylbenzo[b]phenalen-7-one
CID 12547034
6-fluoro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 87755914
7-(3,4-difluorophenyl)-1H-indole
CID 154814930
2,3-bis(3,4-difluorophenyl)naphthalene-1,4-dione
CID 154722109
3-nitroacenaphthylene-1,2-dione
CID 71120165
benzo[j]aceanthrylene-1,2-dione
CID 13450607
3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
5-(3,4-difluorophenyl)quinazoline-2,4-diamine
CID 175913106
3-phenoxyacenaphthylene-1,2-dione
CID 67381616
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-(2-fluorophenyl)anthracene
CID 150861452

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione?
The IUPAC name of 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione (CID 175200912) is 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione.
What is the SMILES notation for 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione?
The canonical SMILES for 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione is O=C1C(=O)c2c(-c3ccc(F)c(F)c3)ccc3cccc1c23.
What is the InChIKey of 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione?
The InChIKey is RRHNKZRHHSCSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F2O2/c19-13-7-5-10(8-14(13)20)11-6-4-9-2-1-3-12-15(9)16(11)18(22)17(12)21/h1-8H.
What are the key properties of 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione?
3-(3,4-difluorophenyl)acenaphthylene-1,2-dione has a molecular weight of 294.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)acenaphthylene-1,2-dione is sourced from PubChem (CID 175200912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).