2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride

C10H19FO2 — CID 174294166

IUPAC2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride
SMILESCC(C)(C)CCOC(C)(C)C(=O)F
InChIInChI=1S/C10H19FO2/c1-9(2,3)6-7-13-10(4,5)8(11)12/h6-7H2,1-5H3
InChIKeyIWSAKYWQJIPWCG-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.71
Rot. Bonds4

About 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride

2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride (PubChem CID 174294166) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride
PubChem CID174294166
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride
SMILESCC(C)(C)CCOC(C)(C)C(=O)F
InChIInChI=1S/C10H19FO2/c1-9(2,3)6-7-13-10(4,5)8(11)12/h6-7H2,1-5H3
InChIKeyIWSAKYWQJIPWCG-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride?
The IUPAC name of 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride (CID 174294166) is 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride is CC(C)(C)CCOC(C)(C)C(=O)F.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride?
The InChIKey is IWSAKYWQJIPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-9(2,3)6-7-13-10(4,5)8(11)12/h6-7H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride?
2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride has a molecular weight of 190.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-2-methylpropanoyl fluoride is sourced from PubChem (CID 174294166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).