5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one

C14H16FNO3 — CID 82173255

IUPAC5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c1cc(F)cc2C(O)C1CCCO1
InChIInChI=1S/C14H16FNO3/c1-7-9-5-8(15)6-10(12(9)16-14(7)18)13(17)11-3-2-4-19-11/h5-7,11,13,17H,2-4H2,1H3,(H,16,18)
InChIKeyXOEPXCVZNLIREG-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.09
Rot. Bonds2

About 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one

5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173255) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173255
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c1cc(F)cc2C(O)C1CCCO1
InChIInChI=1S/C14H16FNO3/c1-7-9-5-8(15)6-10(12(9)16-14(7)18)13(17)11-3-2-4-19-11/h5-7,11,13,17H,2-4H2,1H3,(H,16,18)
InChIKeyXOEPXCVZNLIREG-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one (CID 82173255) is 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c1cc(F)cc2C(O)C1CCCO1.
What is the InChIKey of 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is XOEPXCVZNLIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-7-9-5-8(15)6-10(12(9)16-14(7)18)13(17)11-3-2-4-19-11/h5-7,11,13,17H,2-4H2,1H3,(H,16,18).
What are the key properties of 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 265.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).