3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one

C9H9F2NO — CID 141161913

IUPAC3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(F)(F)C2CC=CC=C21
InChIInChI=1S/C9H9F2NO/c1-12-7-5-3-2-4-6(7)9(10,11)8(12)13/h2-3,5-6H,4H2,1H3
InChIKeyUGLWEFFGFABGFQ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds

About 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one

3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one (PubChem CID 141161913) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one.

Molecular Properties

Compound Name3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one
PubChem CID141161913
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one
SMILESCN1C(=O)C(F)(F)C2CC=CC=C21
InChIInChI=1S/C9H9F2NO/c1-12-7-5-3-2-4-6(7)9(10,11)8(12)13/h2-3,5-6H,4H2,1H3
InChIKeyUGLWEFFGFABGFQ-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one?
The IUPAC name of 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one (CID 141161913) is 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one.
What is the SMILES notation for 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one?
The canonical SMILES for 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one is CN1C(=O)C(F)(F)C2CC=CC=C21.
What is the InChIKey of 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one?
The InChIKey is UGLWEFFGFABGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-12-7-5-3-2-4-6(7)9(10,11)8(12)13/h2-3,5-6H,4H2,1H3.
What are the key properties of 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one?
3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one has a molecular weight of 185.17 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methyl-3a,4-dihydroindol-2-one is sourced from PubChem (CID 141161913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).