3,3-difluoro-5-propan-2-yl-1H-indol-2-one

C11H11F2NO — CID 119054250

IUPAC3,3-difluoro-5-propan-2-yl-1H-indol-2-one
SMILESCC(C)c1ccc2c(c1)C(F)(F)C(=O)N2
InChIInChI=1S/C11H11F2NO/c1-6(2)7-3-4-9-8(5-7)11(12,13)10(15)14-9/h3-6H,1-2H3,(H,14,15)
InChIKeyCHADEBIZFPFMGG-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.85
Rot. Bonds1

About 3,3-difluoro-5-propan-2-yl-1H-indol-2-one

3,3-difluoro-5-propan-2-yl-1H-indol-2-one (PubChem CID 119054250) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 3,3-difluoro-5-propan-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-propan-2-yl-1H-indol-2-one
PubChem CID119054250
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name3,3-difluoro-5-propan-2-yl-1H-indol-2-one
SMILESCC(C)c1ccc2c(c1)C(F)(F)C(=O)N2
InChIInChI=1S/C11H11F2NO/c1-6(2)7-3-4-9-8(5-7)11(12,13)10(15)14-9/h3-6H,1-2H3,(H,14,15)
InChIKeyCHADEBIZFPFMGG-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
2,2-difluoro-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 58215878
1,1-difluoro-7-propan-2-ylnaphthalen-2-one
CID 167331477
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
3,3-difluoro-5-nitro-1H-indol-2-one
CID 139059513
3,3-dimethyl-7-propan-2-yl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 84627160
6-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
5-(1-hydroxy-3-methylbutyl)-3,3-dimethyl-1H-indol-2-one
CID 79015226
7-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 84618877
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-propan-2-yl-1H-indol-2-one?
The IUPAC name of 3,3-difluoro-5-propan-2-yl-1H-indol-2-one (CID 119054250) is 3,3-difluoro-5-propan-2-yl-1H-indol-2-one.
What is the SMILES notation for 3,3-difluoro-5-propan-2-yl-1H-indol-2-one?
The canonical SMILES for 3,3-difluoro-5-propan-2-yl-1H-indol-2-one is CC(C)c1ccc2c(c1)C(F)(F)C(=O)N2.
What is the InChIKey of 3,3-difluoro-5-propan-2-yl-1H-indol-2-one?
The InChIKey is CHADEBIZFPFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-6(2)7-3-4-9-8(5-7)11(12,13)10(15)14-9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3,3-difluoro-5-propan-2-yl-1H-indol-2-one?
3,3-difluoro-5-propan-2-yl-1H-indol-2-one has a molecular weight of 211.21 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-propan-2-yl-1H-indol-2-one is sourced from PubChem (CID 119054250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).