4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine

C16H31FN2O — CID 146435559

IUPAC4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine
SMILESCC(C)N1CC(F)(CN2CCOCC2)C[C@H]1C(C)(C)C
InChIInChI=1S/C16H31FN2O/c1-13(2)19-12-16(17,10-14(19)15(3,4)5)11-18-6-8-20-9-7-18/h13-14H,6-12H2,1-5H3/t14-,16?/m0/s1
InChIKeyRHBGQFAOHVVFRA-LBAUFKAWSA-N
MW286.44 g/mol
LogP2.56
Rot. Bonds3

About 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine

4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine (PubChem CID 146435559) has the molecular formula C16H31FN2O and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine
PubChem CID146435559
Molecular FormulaC16H31FN2O
Molecular Weight286.44 g/mol
Exact Mass286.24
IUPAC Name4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine
SMILESCC(C)N1CC(F)(CN2CCOCC2)C[C@H]1C(C)(C)C
InChIInChI=1S/C16H31FN2O/c1-13(2)19-12-16(17,10-14(19)15(3,4)5)11-18-6-8-20-9-7-18/h13-14H,6-12H2,1-5H3/t14-,16?/m0/s1
InChIKeyRHBGQFAOHVVFRA-LBAUFKAWSA-N
XLogP2.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S,3R,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 146435535
4-[[(2S,3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]methyl]morpholine
CID 146435548
4-[[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]methyl]morpholine
CID 146435562
4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine
CID 147580938
4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine
CID 149023174
4-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine
CID 153298289
4-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine
CID 153298568
4-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine
CID 153298736
4-[[(2R,3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]methyl]morpholine
CID 156566601
1,2-Ditert-butyl-4,4-difluoropyrrolidine;3,4-ditert-butylmorpholine
CID 157597708
4-[[(2R,3R)-5-tert-butyl-3-fluoro-1-iodopyrrolidin-2-yl]methyl]morpholine
CID 163683957
4-[[(2S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696902

Frequently Asked Questions

What is the IUPAC name of 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine (CID 146435559) is 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine is CC(C)N1CC(F)(CN2CCOCC2)C[C@H]1C(C)(C)C.
What is the InChIKey of 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine?
The InChIKey is RHBGQFAOHVVFRA-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H31FN2O/c1-13(2)19-12-16(17,10-14(19)15(3,4)5)11-18-6-8-20-9-7-18/h13-14H,6-12H2,1-5H3/t14-,16?/m0/s1.
What are the key properties of 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine?
4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine has a molecular weight of 286.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 146435559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).