1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one

C64H128F6N8O2 — CID 163476978

IUPAC1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H17F2N.C9H19N.C8H15F2N.C8H17NO.C8H15NO.C8H17N.C7H13F2N.C7H15N/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-5-4-6-8/h4-7H2,1-3H3;4-8H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;4-6H2,1-3H3
InChIKeyCBHAMWZNHIWJQY-UHFFFAOYSA-N
MW1155.77 g/mol
LogP14.54
Rot. Bonds

About 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one

1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one (PubChem CID 163476978) has the molecular formula C64H128F6N8O2 and a molecular weight of 1155.77 g/mol. Its IUPAC name is 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
PubChem CID163476978
Molecular FormulaC64H128F6N8O2
Molecular Weight1155.77 g/mol
Exact Mass1155.01
IUPAC Name1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H17F2N.C9H19N.C8H15F2N.C8H17NO.C8H15NO.C8H17N.C7H13F2N.C7H15N/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-5-4-6-8/h4-7H2,1-3H3;4-8H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;4-6H2,1-3H3
InChIKeyCBHAMWZNHIWJQY-UHFFFAOYSA-N
XLogP14.54
TPSA52.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.77
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one (CID 163476978) is 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one is CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one?
The InChIKey is CBHAMWZNHIWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N.C9H19N.C8H15F2N.C8H17NO.C8H15NO.C8H17N.C7H13F2N.C7H15N/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-5-4-6-8/h4-7H2,1-3H3;4-8H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-7H2,1-3H3;4-5H2,1-3H3;4-6H2,1-3H3.
What are the key properties of 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one?
1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one has a molecular weight of 1155.77 g/mol, XLogP of 14.54, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 163476978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).