4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine

C18H35FN2O — CID 166766938

IUPAC4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine
SMILESCC(C)(C)[C@@H]1C[C@](F)(CCN2CCOCC2)CN1C(C)(C)C
InChIInChI=1S/C18H35FN2O/c1-16(2,3)15-13-18(19,14-21(15)17(4,5)6)7-8-20-9-11-22-12-10-20/h15H,7-14H2,1-6H3/t15-,18+/m0/s1
InChIKeyHOEDBZWCBJUQNF-MAUKXSAKSA-N
MW314.49 g/mol
LogP3.34
Rot. Bonds3

About 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine

4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine (PubChem CID 166766938) has the molecular formula C18H35FN2O and a molecular weight of 314.49 g/mol. Its IUPAC name is 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine
PubChem CID166766938
Molecular FormulaC18H35FN2O
Molecular Weight314.49 g/mol
Exact Mass314.27
IUPAC Name4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine
SMILESCC(C)(C)[C@@H]1C[C@](F)(CCN2CCOCC2)CN1C(C)(C)C
InChIInChI=1S/C18H35FN2O/c1-16(2,3)15-13-18(19,14-21(15)17(4,5)6)7-8-20-9-11-22-12-10-20/h15H,7-14H2,1-6H3/t15-,18+/m0/s1
InChIKeyHOEDBZWCBJUQNF-MAUKXSAKSA-N
XLogP3.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine (CID 166766938) is 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine is CC(C)(C)[C@@H]1C[C@](F)(CCN2CCOCC2)CN1C(C)(C)C.
What is the InChIKey of 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine?
The InChIKey is HOEDBZWCBJUQNF-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H35FN2O/c1-16(2,3)15-13-18(19,14-21(15)17(4,5)6)7-8-20-9-11-22-12-10-20/h15H,7-14H2,1-6H3/t15-,18+/m0/s1.
What are the key properties of 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine?
4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine has a molecular weight of 314.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine is sourced from PubChem (CID 166766938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).