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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane

C126H232F14 — CID 158128780

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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane
SMILESCC(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@@H](C1CC1)C(C)(C)C.CC[C@H](C1CC1)C(C)(C)C.C[C@@H](C1CC1)C(C)(C)C.C[C@H](C1CC1)C(C)(C)C
InChIInChI=1S/C11H18F2.2C11H20.C10H17F3.3C10H20.2C9H15F3.3C9H18.C8H13F3/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;2*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)9(4)6-5-7-9;2*1-7(8-5-6-8)9(2,3)4;1-6(2,3)7(4-5-7)8(9,10)11/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;5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3;4-5H2,1-3H3/t;;;;;2*9-;;;;2*7-;/m.....10...10./s1
InChIKeyFSMXIMCKIOGKRI-PMXGILDHSA-N
MW2013.21 g/mol
LogP45.79
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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane (PubChem CID 158128780) has the molecular formula C126H232F14 and a molecular weight of 2013.21 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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane.

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-cyclopropyl-2,2-dimethylpropyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane
PubChem CID158128780
Molecular FormulaC126H232F14
Molecular Weight2013.21 g/mol
Exact Mass2011.79
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-cyclopropyl-2,2-dimethylpropyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane
SMILESCC(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@@H](C1CC1)C(C)(C)C.CC[C@H](C1CC1)C(C)(C)C.C[C@@H](C1CC1)C(C)(C)C.C[C@H](C1CC1)C(C)(C)C
InChIInChI=1S/C11H18F2.2C11H20.C10H17F3.3C10H20.2C9H15F3.3C9H18.C8H13F3/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;2*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)9(4)6-5-7-9;2*1-7(8-5-6-8)9(2,3)4;1-6(2,3)7(4-5-7)8(9,10)11/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;5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3;4-5H2,1-3H3/t;;;;;2*9-;;;;2*7-;/m.....10...10./s1
InChIKeyFSMXIMCKIOGKRI-PMXGILDHSA-N
XLogP45.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002013.21
LogP ≤ 545.79
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-cyclopropyl-2,2-dimethylpropyl)cyclopropane;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane with MolForge

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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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane (CID 158128780) 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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane is 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@@H](C1CC1)C(C)(C)C.CC[C@H](C1CC1)C(C)(C)C.C[C@@H](C1CC1)C(C)(C)C.C[C@H](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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane?
The InChIKey is FSMXIMCKIOGKRI-PMXGILDHSA-N. The full InChI is InChI=1S/C11H18F2.2C11H20.C10H17F3.3C10H20.2C9H15F3.3C9H18.C8H13F3/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;2*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)9(4)6-5-7-9;2*1-7(8-5-6-8)9(2,3)4;1-6(2,3)7(4-5-7)8(9,10)11/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;5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3;4-5H2,1-3H3/t;;;;;2*9-;;;;2*7-;/m.....10...10./s1.
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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane has a molecular weight of 2013.21 g/mol, XLogP of 45.79, 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;[(2R)-3,3-dimethylbutan-2-yl]cyclopropane;[(2S)-3,3-dimethylbutan-2-yl]cyclopropane;[(3R)-2,2-dimethylpentan-3-yl]cyclopropane;[(3S)-2,2-dimethylpentan-3-yl]cyclopropane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclobutane;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;2,3,3-trimethylbutan-2-ylcyclopropane is sourced from PubChem (CID 158128780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).