2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane

C11H27F — CID 142473666

IUPAC2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
SMILESCC.CC(C)(C)C.CC(C)(C)F
InChIInChI=1S/C5H12.C4H9F.C2H6/c1-5(2,3)4;1-4(2,3)5;1-2/h1-4H3;1-3H3;1-2H3
InChIKeyJCSGFIOQAVKYOR-UHFFFAOYSA-N
MW178.33 g/mol
LogP4.83
Rot. Bonds

About 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane

2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane (PubChem CID 142473666) has the molecular formula C11H27F and a molecular weight of 178.33 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
PubChem CID142473666
Molecular FormulaC11H27F
Molecular Weight178.33 g/mol
Exact Mass178.21
IUPAC Name2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
SMILESCC.CC(C)(C)C.CC(C)(C)F
InChIInChI=1S/C5H12.C4H9F.C2H6/c1-5(2,3)4;1-4(2,3)5;1-2/h1-4H3;1-3H3;1-2H3
InChIKeyJCSGFIOQAVKYOR-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane?
The IUPAC name of 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane (CID 142473666) is 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane.
What is the SMILES notation for 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane?
The canonical SMILES for 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane is CC.CC(C)(C)C.CC(C)(C)F.
What is the InChIKey of 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane?
The InChIKey is JCSGFIOQAVKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H9F.C2H6/c1-5(2,3)4;1-4(2,3)5;1-2/h1-4H3;1-3H3;1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane?
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane has a molecular weight of 178.33 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane is sourced from PubChem (CID 142473666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).