7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one

C20H18FNO — CID 144567873

IUPAC7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one
SMILES[H]/N=C1\CCC2C(=C(C)C3=CC(F)=CC(c4ccccc4)C32)C1=O
InChIInChI=1S/C20H18FNO/c1-11-15-9-13(21)10-16(12-5-3-2-4-6-12)19(15)14-7-8-17(22)20(23)18(11)14/h2-6,9-10,14,16,19,22H,7-8H2,1H3/b22-17+
InChIKeyGVGALUTUMPUIPL-OQKWZONESA-N
MW307.37 g/mol
LogP4.51
Rot. Bonds1

About 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one

7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one (PubChem CID 144567873) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one.

Molecular Properties

Compound Name7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one
PubChem CID144567873
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one
SMILES[H]/N=C1\CCC2C(=C(C)C3=CC(F)=CC(c4ccccc4)C32)C1=O
InChIInChI=1S/C20H18FNO/c1-11-15-9-13(21)10-16(12-5-3-2-4-6-12)19(15)14-7-8-17(22)20(23)18(11)14/h2-6,9-10,14,16,19,22H,7-8H2,1H3/b22-17+
InChIKeyGVGALUTUMPUIPL-OQKWZONESA-N
XLogP4.51
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
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 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one?
The IUPAC name of 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one (CID 144567873) is 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one.
What is the SMILES notation for 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one?
The canonical SMILES for 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one is [H]/N=C1\CCC2C(=C(C)C3=CC(F)=CC(c4ccccc4)C32)C1=O.
What is the InChIKey of 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one?
The InChIKey is GVGALUTUMPUIPL-OQKWZONESA-N. The full InChI is InChI=1S/C20H18FNO/c1-11-15-9-13(21)10-16(12-5-3-2-4-6-12)19(15)14-7-8-17(22)20(23)18(11)14/h2-6,9-10,14,16,19,22H,7-8H2,1H3/b22-17+.
What are the key properties of 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one?
7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one has a molecular weight of 307.37 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-imino-9-methyl-5-phenyl-4,4a,4b,5-tetrahydro-3H-fluoren-1-one is sourced from PubChem (CID 144567873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).