1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine

C107H210F10N18 — CID 157316732

IUPAC1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N.C11H20F3N.2C11H18F2N4.C10H20FN.C10H21N.C9H20N2.C9H19N.2C8H17N.C7H13F2N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h8-10H2,1-7H3;5-8H2,1-4H3;2*5-7H2,1-4H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3
InChIKeyBDRJXIYKQWOQHD-UHFFFAOYSA-N
MW1938.96 g/mol
LogP25.07
Rot. Bonds2

About 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine

1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine (PubChem CID 157316732) has the molecular formula C107H210F10N18 and a molecular weight of 1938.96 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine
PubChem CID157316732
Molecular FormulaC107H210F10N18
Molecular Weight1938.96 g/mol
Exact Mass1937.68
IUPAC Name1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27N.C11H20F3N.2C11H18F2N4.C10H20FN.C10H21N.C9H20N2.C9H19N.2C8H17N.C7H13F2N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h8-10H2,1-7H3;5-8H2,1-4H3;2*5-7H2,1-4H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3
InChIKeyBDRJXIYKQWOQHD-UHFFFAOYSA-N
XLogP25.07
TPSA100.30 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.96
LogP ≤ 525.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine with MolForge

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Related Compounds

1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 157132326
1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 157557604
1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
CID 160023689
1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine;7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 161588617

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine (CID 157316732) is 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine is CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(F)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine?
The InChIKey is BDRJXIYKQWOQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C11H20F3N.2C11H18F2N4.C10H20FN.C10H21N.C9H20N2.C9H19N.2C8H17N.C7H13F2N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10/h8-10H2,1-7H3;5-8H2,1-4H3;2*5-7H2,1-4H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine?
1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine has a molecular weight of 1938.96 g/mol, XLogP of 25.07, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;1-tert-butyl-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 157316732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).