2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid

C10H7F2NO3 — CID 23354124

IUPAC2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2cc(F)cc(F)c21
InChIInChI=1S/C10H7F2NO3/c11-4-1-6(12)9-5(3-8(14)15)10(16)13-7(9)2-4/h1-2,5H,3H2,(H,13,16)(H,14,15)
InChIKeyYKHINSWWZLGMGX-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.48
Rot. Bonds2

About 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid

2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (PubChem CID 23354124) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
PubChem CID23354124
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2cc(F)cc(F)c21
InChIInChI=1S/C10H7F2NO3/c11-4-1-6(12)9-5(3-8(14)15)10(16)13-7(9)2-4/h1-2,5H,3H2,(H,13,16)(H,14,15)
InChIKeyYKHINSWWZLGMGX-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (CID 23354124) is 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is O=C(O)CC1C(=O)Nc2cc(F)cc(F)c21.
What is the InChIKey of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The InChIKey is YKHINSWWZLGMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c11-4-1-6(12)9-5(3-8(14)15)10(16)13-7(9)2-4/h1-2,5H,3H2,(H,13,16)(H,14,15).
What are the key properties of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid has a molecular weight of 227.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 23354124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).