2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane

C18H39F3 — CID 158100302

IUPAC2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
SMILESCC(C)(C)C.CC(C)(C)CCC(F)(F)F.CCC(C)(C)C
InChIInChI=1S/C7H13F3.C6H14.C5H12/c1-6(2,3)4-5-7(8,9)10;1-5-6(2,3)4;1-5(2,3)4/h4-5H2,1-3H3;5H2,1-4H3;1-4H3
InChIKeyFPECXSGYTREFOT-UHFFFAOYSA-N
MW312.50 g/mol
LogP7.87
Rot. Bonds1

About 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane

2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane (PubChem CID 158100302) has the molecular formula C18H39F3 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane.

Molecular Properties

Compound Name2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
PubChem CID158100302
Molecular FormulaC18H39F3
Molecular Weight312.50 g/mol
Exact Mass312.30
IUPAC Name2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
SMILESCC(C)(C)C.CC(C)(C)CCC(F)(F)F.CCC(C)(C)C
InChIInChI=1S/C7H13F3.C6H14.C5H12/c1-6(2,3)4-5-7(8,9)10;1-5-6(2,3)4;1-5(2,3)4/h4-5H2,1-3H3;5H2,1-4H3;1-4H3
InChIKeyFPECXSGYTREFOT-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane?
The IUPAC name of 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane (CID 158100302) is 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane.
What is the SMILES notation for 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane?
The canonical SMILES for 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane is CC(C)(C)C.CC(C)(C)CCC(F)(F)F.CCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane?
The InChIKey is FPECXSGYTREFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3.C6H14.C5H12/c1-6(2,3)4-5-7(8,9)10;1-5-6(2,3)4;1-5(2,3)4/h4-5H2,1-3H3;5H2,1-4H3;1-4H3.
What are the key properties of 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane?
2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane has a molecular weight of 312.50 g/mol, XLogP of 7.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane is sourced from PubChem (CID 158100302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).