2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane

C72H147F21 — CID 158372360

IUPAC2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane
SMILESCCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C.CCC(C)(C)C(F)(F)F.CCC(C)C(F)F.CCC(F)(F)C(C)C.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCC(C)CF.CCCC(C)CF.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)CC(C)C(F)(F)F
InChIInChI=1S/C7H16.C6H8F6.3C6H11F3.C6H12F2.2C6H13F.3C6H14.C5H10F2/c1-5-6-7(2,3)4;1-3-4(2,5(7,8)9)6(10,11)12;1-4-5(2,3)6(7,8)9;2*1-3-4-5(2)6(7,8)9;1-4-6(7,8)5(2)3;2*1-3-4-6(2)5-7;2*1-5-6(2,3)4;1-4-5-6(2)3;1-3-4(2)5(6)7/h5-6H2,1-4H3;3H2,1-2H3;4H2,1-3H3;2*5H,3-4H2,1-2H3;5H,4H2,1-3H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;6H,4-5H2,1-3H3;4-5H,3H2,1-2H3/i;;;3D2;;;;;5D2;;;
InChIKeyGUTPGPXKAAGUKN-IWRUSQNBSA-N
MW1415.95 g/mol
LogP32.41
Rot. Bonds19

About 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane

2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane (PubChem CID 158372360) has the molecular formula C72H147F21 and a molecular weight of 1415.95 g/mol. Its IUPAC name is 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane
PubChem CID158372360
Molecular FormulaC72H147F21
Molecular Weight1415.95 g/mol
Exact Mass1415.14
IUPAC Name2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane
SMILESCCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C.CCC(C)(C)C(F)(F)F.CCC(C)C(F)F.CCC(F)(F)C(C)C.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCC(C)CF.CCCC(C)CF.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)CC(C)C(F)(F)F
InChIInChI=1S/C7H16.C6H8F6.3C6H11F3.C6H12F2.2C6H13F.3C6H14.C5H10F2/c1-5-6-7(2,3)4;1-3-4(2,5(7,8)9)6(10,11)12;1-4-5(2,3)6(7,8)9;2*1-3-4-5(2)6(7,8)9;1-4-6(7,8)5(2)3;2*1-3-4-6(2)5-7;2*1-5-6(2,3)4;1-4-5-6(2)3;1-3-4(2)5(6)7/h5-6H2,1-4H3;3H2,1-2H3;4H2,1-3H3;2*5H,3-4H2,1-2H3;5H,4H2,1-3H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;6H,4-5H2,1-3H3;4-5H,3H2,1-2H3/i;;;3D2;;;;;5D2;;;
InChIKeyGUTPGPXKAAGUKN-IWRUSQNBSA-N
XLogP32.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.95
LogP ≤ 532.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane?
The IUPAC name of 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane (CID 158372360) is 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane.
What is the SMILES notation for 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane?
The canonical SMILES for 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane is CCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C.CCC(C)(C)C(F)(F)F.CCC(C)C(F)F.CCC(F)(F)C(C)C.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCC(C)CF.CCCC(C)CF.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)CC(C)C(F)(F)F.
What is the InChIKey of 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane?
The InChIKey is GUTPGPXKAAGUKN-IWRUSQNBSA-N. The full InChI is InChI=1S/C7H16.C6H8F6.3C6H11F3.C6H12F2.2C6H13F.3C6H14.C5H10F2/c1-5-6-7(2,3)4;1-3-4(2,5(7,8)9)6(10,11)12;1-4-5(2,3)6(7,8)9;2*1-3-4-5(2)6(7,8)9;1-4-6(7,8)5(2)3;2*1-3-4-6(2)5-7;2*1-5-6(2,3)4;1-4-5-6(2)3;1-3-4(2)5(6)7/h5-6H2,1-4H3;3H2,1-2H3;4H2,1-3H3;2*5H,3-4H2,1-2H3;5H,4H2,1-3H3;2*6H,3-5H2,1-2H3;2*5H2,1-4H3;6H,4-5H2,1-3H3;4-5H,3H2,1-2H3/i;;;3D2;;;;;5D2;;;.
What are the key properties of 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane?
2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane has a molecular weight of 1415.95 g/mol, XLogP of 32.41, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-3,3-dimethylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;3,3-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;bis(1-fluoro-2-methylpentane);2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane is sourced from PubChem (CID 158372360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).