tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate

C15H20FNO3 — CID 170628692

IUPACtert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate
SMILESCOC[C@H]1Cc2c(F)cccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-10(9-19-4)8-11-12(16)6-5-7-13(11)17/h5-7,10H,8-9H2,1-4H3/t10-/m1/s1
InChIKeyMEMIWMMMLTXMOT-SNVBAGLBSA-N
MW281.33 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate

tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate (PubChem CID 170628692) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate
PubChem CID170628692
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate
SMILESCOC[C@H]1Cc2c(F)cccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-10(9-19-4)8-11-12(16)6-5-7-13(11)17/h5-7,10H,8-9H2,1-4H3/t10-/m1/s1
InChIKeyMEMIWMMMLTXMOT-SNVBAGLBSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate (CID 170628692) is tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate is COC[C@H]1Cc2c(F)cccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is MEMIWMMMLTXMOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-10(9-19-4)8-11-12(16)6-5-7-13(11)17/h5-7,10H,8-9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate?
tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 170628692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).