2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one

C18H19FINO — CID 11464035

IUPAC2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(CCI)c2C1
InChIInChI=1S/C18H19FINO/c1-18(2)10-16-14(17(22)11-18)9-15(21(16)8-7-20)12-3-5-13(19)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyYUPOOOMYQBAFNH-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.88
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one

2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 11464035) has the molecular formula C18H19FINO and a molecular weight of 411.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID11464035
Molecular FormulaC18H19FINO
Molecular Weight411.26 g/mol
Exact Mass411.05
IUPAC Name2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(CCI)c2C1
InChIInChI=1S/C18H19FINO/c1-18(2)10-16-14(17(22)11-18)9-15(21(16)8-7-20)12-3-5-13(19)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyYUPOOOMYQBAFNH-UHFFFAOYSA-N
XLogP4.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
CID 20864880
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940
6-fluoro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 138749776
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
CID 63464793
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 65356803
1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde
CID 82396268
4-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzenesulfonamide
CID 4031441
1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 64530762
2,6,6-trimethyl-1-[(5-methylpyrazin-2-yl)methyl]-5,7-dihydroindol-4-one
CID 62848113
1-[2-(5-bromothiophen-2-yl)ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 106039237
acetic acid;1-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 163342661

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 11464035) is 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(CCI)c2C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is YUPOOOMYQBAFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FINO/c1-18(2)10-16-14(17(22)11-18)9-15(21(16)8-7-20)12-3-5-13(19)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 411.26 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-iodoethyl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 11464035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).