4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine

C14H27FN2O — CID 149023174

IUPAC4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine
SMILESC[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C14H27FN2O/c1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m1/s1
InChIKeyQDWAHDRLKYKTKX-AGIUHOORSA-N
MW258.38 g/mol
LogP1.78
Rot. Bonds2

About 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine

4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine (PubChem CID 149023174) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine
PubChem CID149023174
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine
SMILESC[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C14H27FN2O/c1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m1/s1
InChIKeyQDWAHDRLKYKTKX-AGIUHOORSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine (CID 149023174) is 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine is C[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.
What is the InChIKey of 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine?
The InChIKey is QDWAHDRLKYKTKX-AGIUHOORSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m1/s1.
What are the key properties of 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine?
4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine has a molecular weight of 258.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 149023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).