4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide

C10H9F2NO2 — CID 173096161

IUPAC4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(O)CCc2c(F)cc(F)cc21
InChIInChI=1S/C10H9F2NO2/c11-5-3-7-6(8(12)4-5)1-2-10(7,15)9(13)14/h3-4,15H,1-2H2,(H2,13,14)
InChIKeyQIXQAZTZKKKKRE-UHFFFAOYSA-N
MW213.18 g/mol
LogP0.58
Rot. Bonds1

About 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide

4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide (PubChem CID 173096161) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide
PubChem CID173096161
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(O)CCc2c(F)cc(F)cc21
InChIInChI=1S/C10H9F2NO2/c11-5-3-7-6(8(12)4-5)1-2-10(7,15)9(13)14/h3-4,15H,1-2H2,(H2,13,14)
InChIKeyQIXQAZTZKKKKRE-UHFFFAOYSA-N
XLogP0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide (CID 173096161) is 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide is NC(=O)C1(O)CCc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide?
The InChIKey is QIXQAZTZKKKKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-5-3-7-6(8(12)4-5)1-2-10(7,15)9(13)14/h3-4,15H,1-2H2,(H2,13,14).
What are the key properties of 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide?
4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide has a molecular weight of 213.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 173096161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).