1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)

C62H121F31 — CID 159260883

About 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)

1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane) (PubChem CID 159260883) has the molecular formula C62H121F31 and a molecular weight of 1455.59 g/mol. Its IUPAC name is 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane).

Molecular Properties

• Compound Name: 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)
• PubChem CID: 159260883
• Molecular Formula: C62H121F31
• Molecular Weight: 1455.59 g/mol
• Exact Mass: 1454.90
• IUPAC Name: 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)(F)C(F)(F)F.CC(C)(F)C(F)(F)F.CC(C)(F)C(F)F.CC(C)(F)C(F)F.CC(C)C.CC(C)C.CC(C)C(F)(F)F.CC(C)C(F)(F)F
• InChI: InChI=1S/3C5H9F3.C5H10F2.2C5H12.2C4H6F4.4C4H7F3.2C4H10/c3*1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;2*1-5(2,3)4;2*1-3(2,5)4(6,7)8;2*1-4(2,7)3(5)6;2*1-3(2)4(5,6)7;2*1-4(2)3/h3*1-3H3;4H,1-3H3;2*1-4H3;2*1-2H3;4*3H,1-2H3;2*4H,1-3H3
• InChIKey: KWMJIVLTPVDHLP-UHFFFAOYSA-N
• XLogP: 30.51
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1455.59
LogP ≤ 5	30.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)?

The IUPAC name of 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane) (CID 159260883) is 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane).

What is the SMILES notation for 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)?

The canonical SMILES for 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)(F)C(F)(F)F.CC(C)(F)C(F)(F)F.CC(C)(F)C(F)F.CC(C)(F)C(F)F.CC(C)C.CC(C)C.CC(C)C(F)(F)F.CC(C)C(F)(F)F.

What is the InChIKey of 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)?

The InChIKey is KWMJIVLTPVDHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H9F3.C5H10F2.2C5H12.2C4H6F4.4C4H7F3.2C4H10/c3*1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;2*1-5(2,3)4;2*1-3(2,5)4(6,7)8;2*1-4(2,7)3(5)6;2*1-3(2)4(5,6)7;2*1-4(2)3/h3*1-3H3;4H,1-3H3;2*1-4H3;2*1-2H3;4*3H,1-2H3;2*4H,1-3H3.

What are the key properties of 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane)?

1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane) has a molecular weight of 1455.59 g/mol, XLogP of 30.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-2,2-dimethylpropane;bis(2,2-dimethylpropane);bis(2-methylpropane);bis(1,1,1,2-tetrafluoro-2-methylpropane);tris(1,1,1-trifluoro-2,2-dimethylpropane);bis(1,1,1-trifluoro-2-methylpropane);bis(1,1,2-trifluoro-2-methylpropane) is sourced from PubChem (CID 159260883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).