2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane

C23H51F5 — CID 164949351

IUPAC2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)C.[2H]C(C)(C)C
InChIInChI=1S/C5H9F3.C5H10F2.C5H12.2C4H10/c1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;1-5(2,3)4;2*1-4(2)3/h1-3H3;4H,1-3H3;1-4H3;2*4H,1-3H3/i;;;4D;
InChIKeyAHSNSEXWPHHJKZ-CMSXXRLFSA-N
MW423.66 g/mol
LogP10.27
Rot. Bonds

About 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane

2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane (PubChem CID 164949351) has the molecular formula C23H51F5 and a molecular weight of 423.66 g/mol. Its IUPAC name is 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane
PubChem CID164949351
Molecular FormulaC23H51F5
Molecular Weight423.66 g/mol
Exact Mass423.40
IUPAC Name2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)C.[2H]C(C)(C)C
InChIInChI=1S/C5H9F3.C5H10F2.C5H12.2C4H10/c1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;1-5(2,3)4;2*1-4(2)3/h1-3H3;4H,1-3H3;1-4H3;2*4H,1-3H3/i;;;4D;
InChIKeyAHSNSEXWPHHJKZ-CMSXXRLFSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.66
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
1-fluoro-2,2-dimethylpropan-1-amine
CID 88688039
bis(2,2-dimethylpropane);2-methylpropane;methylsulfonylmethane;propane;2,2,4,4-tetramethylpentan-1-ol;1,1,1-trifluoro-2,2-dimethylpropane
CID 159009190
azane;2,2-dimethylpropane;fluoroform
CID 174921976
2-chloro-2-fluoro-3-methylbutane
CID 88897527
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
2-deuterio-2-methylpropane;2,2-dideuteriobutane;2-methylpropane;1,1,1-trifluoro-2-methylpropane
CID 165052307
butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
CID 163680100
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
3,3-dimethylbutan-2-ylphosphane
CID 57029329

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane?
The IUPAC name of 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane (CID 164949351) is 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane.
What is the SMILES notation for 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane?
The canonical SMILES for 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)C(F)(F)F.CC(C)(C)C(F)F.CC(C)C.[2H]C(C)(C)C.
What is the InChIKey of 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane?
The InChIKey is AHSNSEXWPHHJKZ-CMSXXRLFSA-N. The full InChI is InChI=1S/C5H9F3.C5H10F2.C5H12.2C4H10/c1-4(2,3)5(6,7)8;1-5(2,3)4(6)7;1-5(2,3)4;2*1-4(2)3/h1-3H3;4H,1-3H3;1-4H3;2*4H,1-3H3/i;;;4D;.
What are the key properties of 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane?
2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane has a molecular weight of 423.66 g/mol, XLogP of 10.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-methylpropane;1,1-difluoro-2,2-dimethylpropane;2,2-dimethylpropane;2-methylpropane;1,1,1-trifluoro-2,2-dimethylpropane is sourced from PubChem (CID 164949351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).