1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine

C62H122F7N5O — CID 158891162

IUPAC1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine
SMILESCC(C)(C)C1CC(F)(F)CCN1C(C)(C)C.CC(C)(C)C1CC(F)(F)CN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1CCC(F)(F)CN1C(C)(C)C.CC(C)(C)C1COCCN1C(C)(C)C
InChIInChI=1S/2C13H25F2N.C12H23F2N.C12H24FN.C12H25NO/c1-11(2,3)10-9-13(14,15)7-8-16(10)12(4,5)6;1-11(2,3)10-7-8-13(14,15)9-16(10)12(4,5)6;1-10(2,3)9-7-12(13,14)8-15(9)11(4,5)6;1-11(2,3)10-7-9(13)8-14(10)12(4,5)6;1-11(2,3)10-9-14-8-7-13(10)12(4,5)6/h2*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyJEGGBZVGOIYIPL-UHFFFAOYSA-N
MW1086.68 g/mol
LogP17.18
Rot. Bonds

About 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine

1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine (PubChem CID 158891162) has the molecular formula C62H122F7N5O and a molecular weight of 1086.68 g/mol. Its IUPAC name is 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine.

Molecular Properties

Compound Name1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine
PubChem CID158891162
Molecular FormulaC62H122F7N5O
Molecular Weight1086.68 g/mol
Exact Mass1085.95
IUPAC Name1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine
SMILESCC(C)(C)C1CC(F)(F)CCN1C(C)(C)C.CC(C)(C)C1CC(F)(F)CN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1CCC(F)(F)CN1C(C)(C)C.CC(C)(C)C1COCCN1C(C)(C)C
InChIInChI=1S/2C13H25F2N.C12H23F2N.C12H24FN.C12H25NO/c1-11(2,3)10-9-13(14,15)7-8-16(10)12(4,5)6;1-11(2,3)10-7-8-13(14,15)9-16(10)12(4,5)6;1-10(2,3)9-7-12(13,14)8-15(9)11(4,5)6;1-11(2,3)10-7-9(13)8-14(10)12(4,5)6;1-11(2,3)10-9-14-8-7-13(10)12(4,5)6/h2*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3
InChIKeyJEGGBZVGOIYIPL-UHFFFAOYSA-N
XLogP17.18
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.68
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine?
The IUPAC name of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine (CID 158891162) is 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine.
What is the SMILES notation for 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine?
The canonical SMILES for 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine is CC(C)(C)C1CC(F)(F)CCN1C(C)(C)C.CC(C)(C)C1CC(F)(F)CN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1CCC(F)(F)CN1C(C)(C)C.CC(C)(C)C1COCCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine?
The InChIKey is JEGGBZVGOIYIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25F2N.C12H23F2N.C12H24FN.C12H25NO/c1-11(2,3)10-9-13(14,15)7-8-16(10)12(4,5)6;1-11(2,3)10-7-8-13(14,15)9-16(10)12(4,5)6;1-10(2,3)9-7-12(13,14)8-15(9)11(4,5)6;1-11(2,3)10-7-9(13)8-14(10)12(4,5)6;1-11(2,3)10-9-14-8-7-13(10)12(4,5)6/h2*10H,7-9H2,1-6H3;9H,7-8H2,1-6H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine?
1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine has a molecular weight of 1086.68 g/mol, XLogP of 17.18, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5,5-difluoropiperidine;1,2-ditert-butyl-4,4-difluoropyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine is sourced from PubChem (CID 158891162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).