2-(3,5-difluorophenyl)naphthalene-1,4-dione

C16H8F2O2 — CID 135012778

IUPAC2-(3,5-difluorophenyl)naphthalene-1,4-dione
SMILESO=C1C=C(c2cc(F)cc(F)c2)C(=O)c2ccccc21
InChIInChI=1S/C16H8F2O2/c17-10-5-9(6-11(18)7-10)14-8-15(19)12-3-1-2-4-13(12)16(14)20/h1-8H
InChIKeyXGUNXNPPXQLAOB-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.43
Rot. Bonds1

About 2-(3,5-difluorophenyl)naphthalene-1,4-dione

2-(3,5-difluorophenyl)naphthalene-1,4-dione (PubChem CID 135012778) has the molecular formula C16H8F2O2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)naphthalene-1,4-dione
PubChem CID135012778
Molecular FormulaC16H8F2O2
Molecular Weight270.23 g/mol
Exact Mass270.05
IUPAC Name2-(3,5-difluorophenyl)naphthalene-1,4-dione
SMILESO=C1C=C(c2cc(F)cc(F)c2)C(=O)c2ccccc21
InChIInChI=1S/C16H8F2O2/c17-10-5-9(6-11(18)7-10)14-8-15(19)12-3-1-2-4-13(12)16(14)20/h1-8H
InChIKeyXGUNXNPPXQLAOB-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(1,4-dioxonaphthalen-2-yl)benzonitrile
CID 100972744
2-(3-nitrophenyl)naphthalene-1,4-dione
CID 125480138
2-bromo-3-(3,5-difluorophenyl)inden-1-one
CID 123876513
2-(1,4-dioxoanthracen-2-yl)anthracene-1,4-dione
CID 102428384
2-phenylanthracene-1,4-dione
CID 165358923
2-(2,5-dimethyl-1H-pyrrol-3-yl)naphthalene-1,4-dione
CID 11021338
2-(2-hydroxy-4-methylphenyl)naphthalene-1,4-dione
CID 164610153
2-(2-methoxyphenyl)naphthalene-1,4-dione
CID 71329809
2-[4-(bromomethyl)-1-azacyclobuta-2,3-dien-2-yl]naphthalene-1,4-dione
CID 89436390
2-chloronaphthalene-1,4-dione
CID 12503870
2-methylnaphthalene-1,4-dione
CID 102070817
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)naphthalene-1,4-dione?
The IUPAC name of 2-(3,5-difluorophenyl)naphthalene-1,4-dione (CID 135012778) is 2-(3,5-difluorophenyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-(3,5-difluorophenyl)naphthalene-1,4-dione?
The canonical SMILES for 2-(3,5-difluorophenyl)naphthalene-1,4-dione is O=C1C=C(c2cc(F)cc(F)c2)C(=O)c2ccccc21.
What is the InChIKey of 2-(3,5-difluorophenyl)naphthalene-1,4-dione?
The InChIKey is XGUNXNPPXQLAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2O2/c17-10-5-9(6-11(18)7-10)14-8-15(19)12-3-1-2-4-13(12)16(14)20/h1-8H.
What are the key properties of 2-(3,5-difluorophenyl)naphthalene-1,4-dione?
2-(3,5-difluorophenyl)naphthalene-1,4-dione has a molecular weight of 270.23 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)naphthalene-1,4-dione is sourced from PubChem (CID 135012778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).