2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane

C9H18F2O2 — CID 90463878

IUPAC2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane
SMILESCOC(C)(F)C(F)(OC)C(C)(C)C
InChIInChI=1S/C9H18F2O2/c1-7(2,3)9(11,13-6)8(4,10)12-5/h1-6H3
InChIKeyJSSVKHLKWGVGHY-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.68
Rot. Bonds3

About 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane

2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane (PubChem CID 90463878) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane.

Molecular Properties

Compound Name2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane
PubChem CID90463878
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Name2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane
SMILESCOC(C)(F)C(F)(OC)C(C)(C)C
InChIInChI=1S/C9H18F2O2/c1-7(2,3)9(11,13-6)8(4,10)12-5/h1-6H3
InChIKeyJSSVKHLKWGVGHY-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane?
The IUPAC name of 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane (CID 90463878) is 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane.
What is the SMILES notation for 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane?
The canonical SMILES for 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane is COC(C)(F)C(F)(OC)C(C)(C)C.
What is the InChIKey of 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane?
The InChIKey is JSSVKHLKWGVGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2/c1-7(2,3)9(11,13-6)8(4,10)12-5/h1-6H3.
What are the key properties of 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane?
2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane has a molecular weight of 196.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2,3-dimethoxy-4,4-dimethylpentane is sourced from PubChem (CID 90463878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).