1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane

C34H68F2 — CID 158999715

About 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane

1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane (PubChem CID 158999715) has the molecular formula C34H68F2 and a molecular weight of 514.91 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane.

Molecular Properties

• Compound Name: 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane
• PubChem CID: 158999715
• Molecular Formula: C34H68F2
• Molecular Weight: 514.91 g/mol
• Exact Mass: 514.53
• IUPAC Name: 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane
• SMILES: C.CC(C)CC(C(C)C)C1CC1.CC(C)CC1(C(C)C)CC(F)(F)C1.CC(C)CC1(C(C)C)CCC1
• InChI: InChI=1S/C11H20F2.2C11H22.CH4/c1-8(2)5-10(9(3)4)6-11(12,13)7-10;1-8(2)7-11(9(3)4)10-5-6-10;1-9(2)8-11(10(3)4)6-5-7-11;/h8-9H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;1H4
• InChIKey: JREQBBWICKXMGE-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.91
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane?

The IUPAC name of 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane (CID 158999715) is 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane.

What is the SMILES notation for 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane?

The canonical SMILES for 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane is C.CC(C)CC(C(C)C)C1CC1.CC(C)CC1(C(C)C)CC(F)(F)C1.CC(C)CC1(C(C)C)CCC1.

What is the InChIKey of 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane?

The InChIKey is JREQBBWICKXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2.2C11H22.CH4/c1-8(2)5-10(9(3)4)6-11(12,13)7-10;1-8(2)7-11(9(3)4)10-5-6-10;1-9(2)8-11(10(3)4)6-5-7-11;/h8-9H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;1H4.

What are the key properties of 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane?

1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane has a molecular weight of 514.91 g/mol, XLogP of 12.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-3-(2-methylpropyl)-3-propan-2-ylcyclobutane;2,5-dimethylhexan-3-ylcyclopropane;methane;1-(2-methylpropyl)-1-propan-2-ylcyclobutane is sourced from PubChem (CID 158999715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).