2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one

C19H12FNO — CID 70971029

IUPAC2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one
SMILESO=C1/C(=N\c2ccc(CF)cc2)c2cccc3cccc1c23
InChIInChI=1S/C19H12FNO/c20-11-12-7-9-14(10-8-12)21-18-15-5-1-3-13-4-2-6-16(17(13)15)19(18)22/h1-10H,11H2/b21-18-
InChIKeyRWKWSWPUAWMBJA-UZYVYHOESA-N
MW289.31 g/mol
LogP4.63
Rot. Bonds2

About 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one

2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one (PubChem CID 70971029) has the molecular formula C19H12FNO and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one.

Molecular Properties

Compound Name2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one
PubChem CID70971029
Molecular FormulaC19H12FNO
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC Name2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one
SMILESO=C1/C(=N\c2ccc(CF)cc2)c2cccc3cccc1c23
InChIInChI=1S/C19H12FNO/c20-11-12-7-9-14(10-8-12)21-18-15-5-1-3-13-4-2-6-16(17(13)15)19(18)22/h1-10H,11H2/b21-18-
InChIKeyRWKWSWPUAWMBJA-UZYVYHOESA-N
XLogP4.63
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one?
The IUPAC name of 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one (CID 70971029) is 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one.
What is the SMILES notation for 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one?
The canonical SMILES for 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one is O=C1/C(=N\c2ccc(CF)cc2)c2cccc3cccc1c23.
What is the InChIKey of 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one?
The InChIKey is RWKWSWPUAWMBJA-UZYVYHOESA-N. The full InChI is InChI=1S/C19H12FNO/c20-11-12-7-9-14(10-8-12)21-18-15-5-1-3-13-4-2-6-16(17(13)15)19(18)22/h1-10H,11H2/b21-18-.
What are the key properties of 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one?
2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one has a molecular weight of 289.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)phenyl]iminoacenaphthylen-1-one is sourced from PubChem (CID 70971029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).