6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane
C139H262F14 — CID 157057601
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane
SMILESCC.CC.CC(C)(C)C(C)(C)C1CC1.CC(C)(C)C(C1CC1)C1CC1.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)C1(C(F)(F)F)CCC1.CC(C)(C)C1(C)CCC1.CC(C)(C)C1CC2(C1)CC(F)(F)C2.CC(C)(C)C1CC2(CCC2)C1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CCC1.CC(C)(C)CC1(C)CC1.CC(C)(C)CC1CCC1.CC(C1CC1)C(C)(C)C.CC(C1CCC1)C(C)(C)C.CCC(C1CC1)C(C)(C)C
InChIInChI=1S/C11H18F2.2C11H20.C10H17F3.3C10H20.2C9H15F3.4C9H18.C8H13F3.2C2H6/c1-9(2,3)8-4-10(5-8)6-11(12,13)7-10;1-11(2,3)10(8-4-5-8)9-6-7-9;1-10(2,3)9-7-11(8-9)5-4-6-11;1-8(2,3)7-9(5-4-6-9)10(11,12)13;1-9(2,3)10(4,5)8-6-7-8;1-8(10(2,3)4)9-6-5-7-9;1-5-9(8-6-7-8)10(2,3)4;1-7(2,3)6-8(4-5-8)9(10,11)12;1-7(2,3)8(5-4-6-8)9(10,11)12;1-8(2,3)7-9(4)5-6-9;1-8(2,3)9(4)6-5-7-9;1-7(8-5-6-8)9(2,3)4;1-9(2,3)7-8-5-4-6-8;1-6(2,3)7(4-5-7)8(9,10)11;2*1-2/h8H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;2*4-6H2,1-3H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4-5H2,1-3H3;2*1-2H3
InChIKeyAAYBPXSUELMFCI-UHFFFAOYSA-N
MW2199.60 g/mol
LogP51.21
Rot. Bonds11
About 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane
6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane (PubChem CID 157057601) has the molecular formula C139H262F14 and a molecular weight of 2199.60 g/mol. Its IUPAC name is 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane.
Molecular Properties
| Compound Name | 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane |
|---|---|
| PubChem CID | 157057601 |
| Molecular Formula | C139H262F14 |
| Molecular Weight | 2199.60 g/mol |
| Exact Mass | 2198.03 |
| IUPAC Name | 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane |
| SMILES | CC.CC.CC(C)(C)C(C)(C)C1CC1.CC(C)(C)C(C1CC1)C1CC1.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)C1(C(F)(F)F)CCC1.CC(C)(C)C1(C)CCC1.CC(C)(C)C1CC2(C1)CC(F)(F)C2.CC(C)(C)C1CC2(CCC2)C1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CCC1.CC(C)(C)CC1(C)CC1.CC(C)(C)CC1CCC1.CC(C1CC1)C(C)(C)C.CC(C1CCC1)C(C)(C)C.CCC(C1CC1)C(C)(C)C |
| InChI | InChI=1S/C11H18F2.2C11H20.C10H17F3.3C10H20.2C9H15F3.4C9H18.C8H13F3.2C2H6/c1-9(2,3)8-4-10(5-8)6-11(12,13)7-10;1-11(2,3)10(8-4-5-8)9-6-7-9;1-10(2,3)9-7-11(8-9)5-4-6-11;1-8(2,3)7-9(5-4-6-9)10(11,12)13;1-9(2,3)10(4,5)8-6-7-8;1-8(10(2,3)4)9-6-5-7-9;1-5-9(8-6-7-8)10(2,3)4;1-7(2,3)6-8(4-5-8)9(10,11)12;1-7(2,3)8(5-4-6-8)9(10,11)12;1-8(2,3)7-9(4)5-6-9;1-8(2,3)9(4)6-5-7-9;1-7(8-5-6-8)9(2,3)4;1-9(2,3)7-8-5-4-6-8;1-6(2,3)7(4-5-7)8(9,10)11;2*1-2/h8H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;2*4-6H2,1-3H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4-5H2,1-3H3;2*1-2H3 |
| InChIKey | AAYBPXSUELMFCI-UHFFFAOYSA-N |
| XLogP | 51.21 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 11 |
| Heavy Atoms | 153 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2199.60 |
| LogP ≤ 5 | 51.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Frequently Asked Questions
What is the IUPAC name of 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane?
The IUPAC name of 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane (CID 157057601) is 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane.
What is the SMILES notation for 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane?
The canonical SMILES for 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane is CC.CC.CC(C)(C)C(C)(C)C1CC1.CC(C)(C)C(C1CC1)C1CC1.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)C1(C(F)(F)F)CCC1.CC(C)(C)C1(C)CCC1.CC(C)(C)C1CC2(C1)CC(F)(F)C2.CC(C)(C)C1CC2(CCC2)C1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CCC1.CC(C)(C)CC1(C)CC1.CC(C)(C)CC1CCC1.CC(C1CC1)C(C)(C)C.CC(C1CCC1)C(C)(C)C.CCC(C1CC1)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane?
The InChIKey is AAYBPXSUELMFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2.2C11H20.C10H17F3.3C10H20.2C9H15F3.4C9H18.C8H13F3.2C2H6/c1-9(2,3)8-4-10(5-8)6-11(12,13)7-10;1-11(2,3)10(8-4-5-8)9-6-7-9;1-10(2,3)9-7-11(8-9)5-4-6-11;1-8(2,3)7-9(5-4-6-9)10(11,12)13;1-9(2,3)10(4,5)8-6-7-8;1-8(10(2,3)4)9-6-5-7-9;1-5-9(8-6-7-8)10(2,3)4;1-7(2,3)6-8(4-5-8)9(10,11)12;1-7(2,3)8(5-4-6-8)9(10,11)12;1-8(2,3)7-9(4)5-6-9;1-8(2,3)9(4)6-5-7-9;1-7(8-5-6-8)9(2,3)4;1-9(2,3)7-8-5-4-6-8;1-6(2,3)7(4-5-7)8(9,10)11;2*1-2/h8H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;8H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;2*4-6H2,1-3H3;2*5-7H2,1-4H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane?
6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane has a molecular weight of 2199.60 g/mol, XLogP of 51.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,2-difluorospiro[3.3]heptane;1-tert-butyl-1-methylcyclobutane;2-tert-butylspiro[3.3]heptane;1-tert-butyl-1-(trifluoromethyl)cyclobutane;1-tert-butyl-1-(trifluoromethyl)cyclopropane;(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane;3,3-dimethylbutan-2-ylcyclobutane;3,3-dimethylbutan-2-ylcyclopropane;2,2-dimethylpentan-3-ylcyclopropane;2,2-dimethylpropylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane;2,3,3-trimethylbutan-2-ylcyclopropane is sourced from PubChem (CID 157057601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157057601 — identifiers, structure, computed properties (public domain)
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