5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one

C14H8F6N2O — CID 166891808

IUPAC5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one
SMILESO=C1c2c(C(F)(F)F)cn(-c3cccc(F)n3)c2CCC1(F)F
InChIInChI=1S/C14H8F6N2O/c15-9-2-1-3-10(21-9)22-6-7(14(18,19)20)11-8(22)4-5-13(16,17)12(11)23/h1-3,6H,4-5H2
InChIKeyNQWPXDRKBLNMSO-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.79
Rot. Bonds1

About 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one

5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one (PubChem CID 166891808) has the molecular formula C14H8F6N2O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one.

Molecular Properties

Compound Name5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one
PubChem CID166891808
Molecular FormulaC14H8F6N2O
Molecular Weight334.22 g/mol
Exact Mass334.05
IUPAC Name5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one
SMILESO=C1c2c(C(F)(F)F)cn(-c3cccc(F)n3)c2CCC1(F)F
InChIInChI=1S/C14H8F6N2O/c15-9-2-1-3-10(21-9)22-6-7(14(18,19)20)11-8(22)4-5-13(16,17)12(11)23/h1-3,6H,4-5H2
InChIKeyNQWPXDRKBLNMSO-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one?
The IUPAC name of 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one (CID 166891808) is 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one.
What is the SMILES notation for 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one?
The canonical SMILES for 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one is O=C1c2c(C(F)(F)F)cn(-c3cccc(F)n3)c2CCC1(F)F.
What is the InChIKey of 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one?
The InChIKey is NQWPXDRKBLNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N2O/c15-9-2-1-3-10(21-9)22-6-7(14(18,19)20)11-8(22)4-5-13(16,17)12(11)23/h1-3,6H,4-5H2.
What are the key properties of 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one?
5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one has a molecular weight of 334.22 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(6-fluoro-2-pyridinyl)-3-(trifluoromethyl)-6,7-dihydroindol-4-one is sourced from PubChem (CID 166891808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).