(3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one

C12H16FNO — CID 166845587

IUPAC(3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one
SMILESCC[C@@]1(C)C(=O)NC2C=CC(F)=CC21C
InChIInChI=1S/C12H16FNO/c1-4-11(2)10(15)14-9-6-5-8(13)7-12(9,11)3/h5-7,9H,4H2,1-3H3,(H,14,15)/t9?,11-,12?/m0/s1
InChIKeyGHUNRWCQHLKUSV-ZYXZCXLHSA-N
MW209.26 g/mol
LogP2.33
Rot. Bonds1

About (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one

(3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one (PubChem CID 166845587) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one
PubChem CID166845587
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one
SMILESCC[C@@]1(C)C(=O)NC2C=CC(F)=CC21C
InChIInChI=1S/C12H16FNO/c1-4-11(2)10(15)14-9-6-5-8(13)7-12(9,11)3/h5-7,9H,4H2,1-3H3,(H,14,15)/t9?,11-,12?/m0/s1
InChIKeyGHUNRWCQHLKUSV-ZYXZCXLHSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one?
The IUPAC name of (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one (CID 166845587) is (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one?
The canonical SMILES for (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one is CC[C@@]1(C)C(=O)NC2C=CC(F)=CC21C.
What is the InChIKey of (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one?
The InChIKey is GHUNRWCQHLKUSV-ZYXZCXLHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-11(2)10(15)14-9-6-5-8(13)7-12(9,11)3/h5-7,9H,4H2,1-3H3,(H,14,15)/t9?,11-,12?/m0/s1.
What are the key properties of (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one?
(3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one has a molecular weight of 209.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-5-fluoro-3,3a-dimethyl-1,7a-dihydroindol-2-one is sourced from PubChem (CID 166845587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).