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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane

C90H166F14 — CID 162025832

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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane
SMILESCC.CC.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)CC1(C)CCC1
InChIInChI=1S/C11H18F2.C11H20.C10H17F3.C10H20.2C9H15F3.2C9H18.C8H13F3.2C2H6/c1-9(2,3)8-4-10(5-8)6-11(12,13)7-10;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)8-10(4)6-5-7-10;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;1-6(2,3)7(4-5-7)8(9,10)11;2*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;5-8H2,1-4H3;2*4-6H2,1-3H3;2*5-7H2,1-4H3;4-5H2,1-3H3;2*1-2H3
InChIKeyYVIXAPKZHCSBJZ-UHFFFAOYSA-N
MW1514.29 g/mol
LogP34.64
Rot. Bonds4

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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane

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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane (PubChem CID 162025832) has the molecular formula C90H166F14 and a molecular weight of 1514.29 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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane.

Molecular Properties

Compound Name6-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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane
PubChem CID162025832
Molecular FormulaC90H166F14
Molecular Weight1514.29 g/mol
Exact Mass1513.28
IUPAC Name6-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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane
SMILESCC.CC.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)CC1(C)CCC1
InChIInChI=1S/C11H18F2.C11H20.C10H17F3.C10H20.2C9H15F3.2C9H18.C8H13F3.2C2H6/c1-9(2,3)8-4-10(5-8)6-11(12,13)7-10;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)8-10(4)6-5-7-10;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;1-6(2,3)7(4-5-7)8(9,10)11;2*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;5-8H2,1-4H3;2*4-6H2,1-3H3;2*5-7H2,1-4H3;4-5H2,1-3H3;2*1-2H3
InChIKeyYVIXAPKZHCSBJZ-UHFFFAOYSA-N
XLogP34.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001514.29
LogP ≤ 534.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane with MolForge

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Related Compounds

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
bis(1-tert-butyl-1-(2,2-dimethylpropyl)cyclopropane);1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 162149662
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
1-tert-butyl-2-[2,2-dimethyl-3-[1-(trifluoromethyl)cyclopropyl]propyl]-1-fluorocyclopropane
CID 167068477
1-tert-butyl-1-methylcyclopentane
CID 21351462
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
2-tert-butylspiro[3.5]nonan-7-ol
CID 171769059
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
2-(2,2-dimethylpropyl)spiro[3.3]heptane
CID 140612166
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
CID 159661868

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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane?
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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane (CID 162025832) 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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane.
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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane?
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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane is CC.CC.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)CC1(C)CCC1.
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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane?
The InChIKey is YVIXAPKZHCSBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2.C11H20.C10H17F3.C10H20.2C9H15F3.2C9H18.C8H13F3.2C2H6/c1-9(2,3)8-4-10(5-8)6-11(12,13)7-10;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)8-10(4)6-5-7-10;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;1-6(2,3)7(4-5-7)8(9,10)11;2*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-7H2,1-3H3;5-8H2,1-4H3;2*4-6H2,1-3H3;2*5-7H2,1-4H3;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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane?
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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane has a molecular weight of 1514.29 g/mol, XLogP of 34.64, 4 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-(2,2-dimethylpropyl)-1-methylcyclobutane;1-(2,2-dimethylpropyl)-1-methylcyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;ethane is sourced from PubChem (CID 162025832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).