tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate

C14H18FNO2 — CID 102385929

IUPACtert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESC[C@@H]1Cc2cc(F)ccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18FNO2/c1-9-7-10-8-11(15)5-6-12(10)16(9)13(17)18-14(2,3)4/h5-6,8-9H,7H2,1-4H3/t9-/m1/s1
InChIKeyDGOSQRDTOOWJCC-SECBINFHSA-N
MW251.30 g/mol
LogP3.51
Rot. Bonds

About tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate

tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 102385929) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID102385929
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESC[C@@H]1Cc2cc(F)ccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18FNO2/c1-9-7-10-8-11(15)5-6-12(10)16(9)13(17)18-14(2,3)4/h5-6,8-9H,7H2,1-4H3/t9-/m1/s1
InChIKeyDGOSQRDTOOWJCC-SECBINFHSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate (CID 102385929) is tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate is C[C@@H]1Cc2cc(F)ccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is DGOSQRDTOOWJCC-SECBINFHSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-7-10-8-11(15)5-6-12(10)16(9)13(17)18-14(2,3)4/h5-6,8-9H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate?
tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-5-fluoro-2-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 102385929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).