3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one

C10H11F2NO2 — CID 141185855

IUPAC3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
SMILESCOCN1C(=O)C(F)(F)C2CC=CC=C21
InChIInChI=1S/C10H11F2NO2/c1-15-6-13-8-5-3-2-4-7(8)10(11,12)9(13)14/h2-3,5,7H,4,6H2,1H3
InChIKeyBVQGTAZGWYWOHF-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.53
Rot. Bonds2

About 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one

3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one (PubChem CID 141185855) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
PubChem CID141185855
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
SMILESCOCN1C(=O)C(F)(F)C2CC=CC=C21
InChIInChI=1S/C10H11F2NO2/c1-15-6-13-8-5-3-2-4-7(8)10(11,12)9(13)14/h2-3,5,7H,4,6H2,1H3
InChIKeyBVQGTAZGWYWOHF-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-1-methyl-3a,7a-dihydroindol-2-one
CID 18956378
6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
CID 141049129
3,3-Difluoro-1-methyl-3a,4-dihydroindol-2-one
CID 141161913
5-Bromo-3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
CID 141185876
3a-fluoro-1,3,3-trimethyl-4H-indol-2-one
CID 141394908
7-Fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
CID 141394978
1-(3-Chloropropyl)-3,3-difluoro-3a,4-dihydroindol-2-one
CID 141426571
1-(2,2-Difluoroethyl)-3,3-dimethyl-3a,4-dihydroindol-2-one
CID 141437911
2-(6-fluoro-1-methyl-2-oxo-3a,4-dihydro-3H-indol-7-yl)acetaldehyde
CID 141745717
6-fluoro-1-methyl-7-prop-2-enyl-3a,4-dihydro-3H-indol-2-one
CID 141745718
1,3-Dimethyl-3-(3,3,3-trifluoropropyl)-3a,4-dihydroindol-2-one
CID 141755687
7-Fluoro-1-methyl-3a,4-dihydroindole-2,3-dione
CID 164898676

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
The IUPAC name of 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one (CID 141185855) is 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one.
What is the SMILES notation for 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
The canonical SMILES for 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one is COCN1C(=O)C(F)(F)C2CC=CC=C21.
What is the InChIKey of 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
The InChIKey is BVQGTAZGWYWOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-6-13-8-5-3-2-4-7(8)10(11,12)9(13)14/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one?
3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one has a molecular weight of 215.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141185855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).