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

C34H65F3 — CID 157493045

IUPAC2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-fluorocyclopropane
SMILESCC(C)(C)CC1CC1.CC(C)(C)CC1CC1(C)C.CC(C)(C)CC1CC1(F)F.CC(C)(C)CC1CC1F
InChIInChI=1S/C10H20.C8H14F2.C8H15F.C8H16/c1-9(2,3)6-8-7-10(8,4)5;1-7(2,3)4-6-5-8(6,9)10;1-8(2,3)5-6-4-7(6)9;1-8(2,3)6-7-4-5-7/h8H,6-7H2,1-5H3;6H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyBXMUUNICENCYAJ-UHFFFAOYSA-N
MW530.89 g/mol
LogP12.16
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-fluorocyclopropane

2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-fluorocyclopropane (PubChem CID 157493045) has the molecular formula C34H65F3 and a molecular weight of 530.89 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-fluorocyclopropane.

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-fluorocyclopropane
PubChem CID157493045
Molecular FormulaC34H65F3
Molecular Weight530.89 g/mol
Exact Mass530.50
IUPAC Name2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-fluorocyclopropane
SMILESCC(C)(C)CC1CC1.CC(C)(C)CC1CC1(C)C.CC(C)(C)CC1CC1(F)F.CC(C)(C)CC1CC1F
InChIInChI=1S/C10H20.C8H14F2.C8H15F.C8H16/c1-9(2,3)6-8-7-10(8,4)5;1-7(2,3)4-6-5-8(6,9)10;1-8(2,3)5-6-4-7(6)9;1-8(2,3)6-7-4-5-7/h8H,6-7H2,1-5H3;6H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyBXMUUNICENCYAJ-UHFFFAOYSA-N
XLogP12.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.89
LogP ≤ 512.16
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-fluorocyclopropane 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-fluorocyclopropane?
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-fluorocyclopropane (CID 157493045) is 2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-fluorocyclopropane.
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-fluorocyclopropane?
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-fluorocyclopropane is CC(C)(C)CC1CC1.CC(C)(C)CC1CC1(C)C.CC(C)(C)CC1CC1(F)F.CC(C)(C)CC1CC1F.
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-fluorocyclopropane?
The InChIKey is BXMUUNICENCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H14F2.C8H15F.C8H16/c1-9(2,3)6-8-7-10(8,4)5;1-7(2,3)4-6-5-8(6,9)10;1-8(2,3)5-6-4-7(6)9;1-8(2,3)6-7-4-5-7/h8H,6-7H2,1-5H3;6H,4-5H2,1-3H3;6-7H,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-fluorocyclopropane?
2,2-dimethylpropylcyclopropane;2-(2,2-dimethylpropyl)-1,1-difluorocyclopropane;2-(2,2-dimethylpropyl)-1,1-dimethylcyclopropane;1-(2,2-dimethylpropyl)-2-fluorocyclopropane has a molecular weight of 530.89 g/mol, XLogP of 12.16, 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-fluorocyclopropane is sourced from PubChem (CID 157493045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).