4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine

C14H27FN2O — CID 147580938

IUPAC4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine
SMILESC[C@@H]1C[C@](F)(CN2CCOCC2)CN1C(C)(C)C
InChIInChI=1S/C14H27FN2O/c1-12-9-14(15,11-17(12)13(2,3)4)10-16-5-7-18-8-6-16/h12H,5-11H2,1-4H3/t12-,14+/m1/s1
InChIKeyFWKGTHVAXUVOCH-OCCSQVGLSA-N
MW258.38 g/mol
LogP1.92
Rot. Bonds2

About 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine

4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine (PubChem CID 147580938) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine
PubChem CID147580938
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine
SMILESC[C@@H]1C[C@](F)(CN2CCOCC2)CN1C(C)(C)C
InChIInChI=1S/C14H27FN2O/c1-12-9-14(15,11-17(12)13(2,3)4)10-16-5-7-18-8-6-16/h12H,5-11H2,1-4H3/t12-,14+/m1/s1
InChIKeyFWKGTHVAXUVOCH-OCCSQVGLSA-N
XLogP1.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine (CID 147580938) is 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine is C[C@@H]1C[C@](F)(CN2CCOCC2)CN1C(C)(C)C.
What is the InChIKey of 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine?
The InChIKey is FWKGTHVAXUVOCH-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-12-9-14(15,11-17(12)13(2,3)4)10-16-5-7-18-8-6-16/h12H,5-11H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine?
4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine has a molecular weight of 258.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 147580938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).