7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one

C14H18FNO — CID 141130577

IUPAC7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)C(C)(C)c2cccc(F)c21
InChIInChI=1S/C14H18FNO/c1-9(2)8-16-12-10(6-5-7-11(12)15)14(3,4)13(16)17/h5-7,9H,8H2,1-4H3
InChIKeyJQIIPKPCZPESHD-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.11
Rot. Bonds2

About 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one

7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one (PubChem CID 141130577) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one
PubChem CID141130577
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)C(C)(C)c2cccc(F)c21
InChIInChI=1S/C14H18FNO/c1-9(2)8-16-12-10(6-5-7-11(12)15)14(3,4)13(16)17/h5-7,9H,8H2,1-4H3
InChIKeyJQIIPKPCZPESHD-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-3,3-dimethylindol-2-one
CID 68904155
1-(3-chloro-2-methylpropyl)-3,3-dimethylindol-2-one
CID 80500181
5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82162293
4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
CID 61359084
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
7-fluoro-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 124527111
7-fluoro-1-[(2S)-2-methylbutyl]indole-2,3-dione
CID 58101404
1-[(1S,2R)-1-(3-chloro-5-fluorophenyl)-2-hydroxy-3-(methylamino)propyl]-7-fluoro-3,3-dimethylindol-2-one
CID 58837425
1-[(1S,2S)-1-(3-chloro-5-fluorophenyl)-2-hydroxy-3-(methylamino)propyl]-7-fluoro-3,3-dimethylindol-2-one;hydrochloride
CID 69159118
(4R)-2-amino-7,7,7'-trimethyl-1'-(2-methylpropyl)-2',5-dioxospiro[1H-furo[3,4-b]pyridine-4,3'-indole]-3-carbonitrile
CID 96564214
3,3,4,7-tetramethyl-2-methylidene-1-(2-methylpropyl)indole
CID 18365556
1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
CID 58101394

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one?
The IUPAC name of 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one (CID 141130577) is 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one is CC(C)CN1C(=O)C(C)(C)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one?
The InChIKey is JQIIPKPCZPESHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9(2)8-16-12-10(6-5-7-11(12)15)14(3,4)13(16)17/h5-7,9H,8H2,1-4H3.
What are the key properties of 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one?
7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one has a molecular weight of 235.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 141130577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).