(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate

C11H12FNO3 — CID 22362553

IUPAC(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate
SMILESCOC(=O)OC1Cc2cc(F)ccc2N1C
InChIInChI=1S/C11H12FNO3/c1-13-9-4-3-8(12)5-7(9)6-10(13)16-11(14)15-2/h3-5,10H,6H2,1-2H3
InChIKeyTYLWCVRZZCRDDJ-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.93
Rot. Bonds1

About (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate

(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate (PubChem CID 22362553) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate.

Molecular Properties

Compound Name(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate
PubChem CID22362553
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate
SMILESCOC(=O)OC1Cc2cc(F)ccc2N1C
InChIInChI=1S/C11H12FNO3/c1-13-9-4-3-8(12)5-7(9)6-10(13)16-11(14)15-2/h3-5,10H,6H2,1-2H3
InChIKeyTYLWCVRZZCRDDJ-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate?
The IUPAC name of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate (CID 22362553) is (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate.
What is the SMILES notation for (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate?
The canonical SMILES for (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate is COC(=O)OC1Cc2cc(F)ccc2N1C.
What is the InChIKey of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate?
The InChIKey is TYLWCVRZZCRDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-13-9-4-3-8(12)5-7(9)6-10(13)16-11(14)15-2/h3-5,10H,6H2,1-2H3.
What are the key properties of (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate?
(5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate has a molecular weight of 225.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methyl-2,3-dihydroindol-2-yl) methyl carbonate is sourced from PubChem (CID 22362553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).