1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane

C65H132F5N5O — CID 158209277

IUPAC1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane
SMILESC.CC(C)(C)C1CC(F)(F)CCN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1COCCN1C(C)(C)C.CC1(F)CC(C(C)(C)C)N(C(C)(C)C)C1.CC1(F)CCC(C(C)(C)C)N(C(C)(C)C)C1
InChIInChI=1S/C14H28FN.C13H25F2N.C13H26FN.C12H24FN.C12H25NO.CH4/c1-12(2,3)11-8-9-14(7,15)10-16(11)13(4,5)6;1-11(2,3)10-9-13(14,15)7-8-16(10)12(4,5)6;1-11(2,3)10-8-13(7,14)9-15(10)12(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;/h11H,8-10H2,1-7H3;10H,7-9H2,1-6H3;10H,8-9H2,1-7H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;1H4
InChIKeyGBWIOPKLBFVVED-UHFFFAOYSA-N
MW1094.79 g/mol
LogP18.00
Rot. Bonds

About 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane

1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane (PubChem CID 158209277) has the molecular formula C65H132F5N5O and a molecular weight of 1094.79 g/mol. Its IUPAC name is 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane.

Molecular Properties

Compound Name1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane
PubChem CID158209277
Molecular FormulaC65H132F5N5O
Molecular Weight1094.79 g/mol
Exact Mass1094.04
IUPAC Name1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane
SMILESC.CC(C)(C)C1CC(F)(F)CCN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1COCCN1C(C)(C)C.CC1(F)CC(C(C)(C)C)N(C(C)(C)C)C1.CC1(F)CCC(C(C)(C)C)N(C(C)(C)C)C1
InChIInChI=1S/C14H28FN.C13H25F2N.C13H26FN.C12H24FN.C12H25NO.CH4/c1-12(2,3)11-8-9-14(7,15)10-16(11)13(4,5)6;1-11(2,3)10-9-13(14,15)7-8-16(10)12(4,5)6;1-11(2,3)10-8-13(7,14)9-15(10)12(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;/h11H,8-10H2,1-7H3;10H,7-9H2,1-6H3;10H,8-9H2,1-7H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;1H4
InChIKeyGBWIOPKLBFVVED-UHFFFAOYSA-N
XLogP18.00
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.79
LogP ≤ 518.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane 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-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane?
The IUPAC name of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane (CID 158209277) is 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane.
What is the SMILES notation for 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane?
The canonical SMILES for 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane is C.CC(C)(C)C1CC(F)(F)CCN1C(C)(C)C.CC(C)(C)C1CC(F)CN1C(C)(C)C.CC(C)(C)C1COCCN1C(C)(C)C.CC1(F)CC(C(C)(C)C)N(C(C)(C)C)C1.CC1(F)CCC(C(C)(C)C)N(C(C)(C)C)C1.
What is the InChIKey of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane?
The InChIKey is GBWIOPKLBFVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN.C13H25F2N.C13H26FN.C12H24FN.C12H25NO.CH4/c1-12(2,3)11-8-9-14(7,15)10-16(11)13(4,5)6;1-11(2,3)10-9-13(14,15)7-8-16(10)12(4,5)6;1-11(2,3)10-8-13(7,14)9-15(10)12(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;/h11H,8-10H2,1-7H3;10H,7-9H2,1-6H3;10H,8-9H2,1-7H3;9-10H,7-8H2,1-6H3;10H,7-9H2,1-6H3;1H4.
What are the key properties of 1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane?
1,2-ditert-butyl-4,4-difluoropiperidine;1,2-ditert-butyl-5-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane has a molecular weight of 1094.79 g/mol, XLogP of 18.00, 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-fluoro-5-methylpiperidine;1,2-ditert-butyl-4-fluoro-4-methylpyrrolidine;1,2-ditert-butyl-4-fluoropyrrolidine;3,4-ditert-butylmorpholine;methane is sourced from PubChem (CID 158209277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).