methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate

C11H12FNO2 — CID 134969071

IUPACmethyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1c2cc(F)ccc2C[C@@H]1C
InChIInChI=1S/C11H12FNO2/c1-7-5-8-3-4-9(12)6-10(8)13(7)11(14)15-2/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyOMQFHPLQUTWARZ-ZETCQYMHSA-N
MW209.22 g/mol
LogP2.34
Rot. Bonds

About methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate

methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 134969071) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID134969071
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1c2cc(F)ccc2C[C@@H]1C
InChIInChI=1S/C11H12FNO2/c1-7-5-8-3-4-9(12)6-10(8)13(7)11(14)15-2/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyOMQFHPLQUTWARZ-ZETCQYMHSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate (CID 134969071) is methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate is COC(=O)N1c2cc(F)ccc2C[C@@H]1C.
What is the InChIKey of methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is OMQFHPLQUTWARZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7-5-8-3-4-9(12)6-10(8)13(7)11(14)15-2/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-6-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 134969071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).