methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate

C16H20FNO3 — CID 71919347

IUPACmethyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(C2CCc3ccc(F)cc32)C[C@@H](C)O1
InChIInChI=1S/C16H20FNO3/c1-10-8-18(9-15(21-10)16(19)20-2)14-6-4-11-3-5-12(17)7-13(11)14/h3,5,7,10,14-15H,4,6,8-9H2,1-2H3/t10-,14?,15?/m1/s1
InChIKeyVRKWBFFZBASOFO-SFNBMPIDSA-N
MW293.34 g/mol
LogP2.08
Rot. Bonds2

About methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate

methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate (PubChem CID 71919347) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate
PubChem CID71919347
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namemethyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(C2CCc3ccc(F)cc32)C[C@@H](C)O1
InChIInChI=1S/C16H20FNO3/c1-10-8-18(9-15(21-10)16(19)20-2)14-6-4-11-3-5-12(17)7-13(11)14/h3,5,7,10,14-15H,4,6,8-9H2,1-2H3/t10-,14?,15?/m1/s1
InChIKeyVRKWBFFZBASOFO-SFNBMPIDSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate (CID 71919347) is methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate is COC(=O)C1CN(C2CCc3ccc(F)cc32)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate?
The InChIKey is VRKWBFFZBASOFO-SFNBMPIDSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10-8-18(9-15(21-10)16(19)20-2)14-6-4-11-3-5-12(17)7-13(11)14/h3,5,7,10,14-15H,4,6,8-9H2,1-2H3/t10-,14?,15?/m1/s1.
What are the key properties of methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate?
methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 71919347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).