tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane

C47H91F3 — CID 160623258

IUPACtert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane
SMILESCC(C)(C)C1CC(F)(F)C1.CC(C)(C)C1CC(F)C1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)CC1CC1.CC(C)C1CC1
InChIInChI=1S/C9H18.C8H14F2.C8H15F.2C8H16.C6H12/c1-9(2,3)8-6-4-5-7-8;1-7(2,3)6-4-8(9,10)5-6;1-8(2,3)6-4-7(9)5-6;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-5(2)6-3-4-6/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyRGYXDNYDOICRIH-UHFFFAOYSA-N
MW713.24 g/mol
LogP16.80
Rot. Bonds2

About tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane

tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane (PubChem CID 160623258) has the molecular formula C47H91F3 and a molecular weight of 713.24 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane.

Molecular Properties

Compound Nametert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane
PubChem CID160623258
Molecular FormulaC47H91F3
Molecular Weight713.24 g/mol
Exact Mass712.71
IUPAC Nametert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane
SMILESCC(C)(C)C1CC(F)(F)C1.CC(C)(C)C1CC(F)C1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)CC1CC1.CC(C)C1CC1
InChIInChI=1S/C9H18.C8H14F2.C8H15F.2C8H16.C6H12/c1-9(2,3)8-6-4-5-7-8;1-7(2,3)6-4-8(9,10)5-6;1-8(2,3)6-4-7(9)5-6;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-5(2)6-3-4-6/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyRGYXDNYDOICRIH-UHFFFAOYSA-N
XLogP16.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.24
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane?
The IUPAC name of tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane (CID 160623258) is tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane.
What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane?
The canonical SMILES for tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane is CC(C)(C)C1CC(F)(F)C1.CC(C)(C)C1CC(F)C1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)CC1CC1.CC(C)C1CC1.
What is the InChIKey of tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane?
The InChIKey is RGYXDNYDOICRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H14F2.C8H15F.2C8H16.C6H12/c1-9(2,3)8-6-4-5-7-8;1-7(2,3)6-4-8(9,10)5-6;1-8(2,3)6-4-7(9)5-6;1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-5(2)6-3-4-6/h8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;2*7H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane?
tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane has a molecular weight of 713.24 g/mol, XLogP of 16.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane is sourced from PubChem (CID 160623258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).