3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one

C9H4F5NO — CID 166482233

IUPAC3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(F)C(F)(F)F
InChIInChI=1S/C9H4F5NO/c10-4-1-2-6-5(3-4)8(11,7(16)15-6)9(12,13)14/h1-3H,(H,15,16)
InChIKeyDFNOSYUYEJQAFH-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.50
Rot. Bonds

About 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one

3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 166482233) has the molecular formula C9H4F5NO and a molecular weight of 237.13 g/mol. Its IUPAC name is 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID166482233
Molecular FormulaC9H4F5NO
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(F)C(F)(F)F
InChIInChI=1S/C9H4F5NO/c10-4-1-2-6-5(3-4)8(11,7(16)15-6)9(12,13)14/h1-3H,(H,15,16)
InChIKeyDFNOSYUYEJQAFH-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one (CID 166482233) is 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1(F)C(F)(F)F.
What is the InChIKey of 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is DFNOSYUYEJQAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F5NO/c10-4-1-2-6-5(3-4)8(11,7(16)15-6)9(12,13)14/h1-3H,(H,15,16).
What are the key properties of 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one?
3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 237.13 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 166482233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).