2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane

C35H68F2 — CID 161458488

IUPAC2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane
SMILESCC(C)(C)CC1CC1.CC(C)(C)CC1CC1(C)C.CC(C)(C)CC1CC1(F)F.CC1CC1CC(C)(C)C
InChIInChI=1S/C10H20.C9H18.C8H14F2.C8H16/c1-9(2,3)6-8-7-10(8,4)5;1-7-5-8(7)6-9(2,3)4;1-7(2,3)4-6-5-8(6,9)10;1-8(2,3)6-7-4-5-7/h8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyWBMCVIAAFGMVPS-UHFFFAOYSA-N
MW526.93 g/mol
LogP12.46
Rot. Bonds4

About 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane

2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane (PubChem CID 161458488) has the molecular formula C35H68F2 and a molecular weight of 526.93 g/mol. Its IUPAC name is 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane.

Molecular Properties

Compound Name2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane
PubChem CID161458488
Molecular FormulaC35H68F2
Molecular Weight526.93 g/mol
Exact Mass526.53
IUPAC Name2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane
SMILESCC(C)(C)CC1CC1.CC(C)(C)CC1CC1(C)C.CC(C)(C)CC1CC1(F)F.CC1CC1CC(C)(C)C
InChIInChI=1S/C10H20.C9H18.C8H14F2.C8H16/c1-9(2,3)6-8-7-10(8,4)5;1-7-5-8(7)6-9(2,3)4;1-7(2,3)4-6-5-8(6,9)10;1-8(2,3)6-7-4-5-7/h8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyWBMCVIAAFGMVPS-UHFFFAOYSA-N
XLogP12.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.93
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane?
The IUPAC name of 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane (CID 161458488) is 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane.
What is the SMILES notation for 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane?
The canonical SMILES for 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane is CC(C)(C)CC1CC1.CC(C)(C)CC1CC1(C)C.CC(C)(C)CC1CC1(F)F.CC1CC1CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane?
The InChIKey is WBMCVIAAFGMVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H18.C8H14F2.C8H16/c1-9(2,3)6-8-7-10(8,4)5;1-7-5-8(7)6-9(2,3)4;1-7(2,3)4-6-5-8(6,9)10;1-8(2,3)6-7-4-5-7/h8H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane?
2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane has a molecular weight of 526.93 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-methylcyclopropane is sourced from PubChem (CID 161458488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).