1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane

C10H17F5O2 — CID 118582146

IUPAC1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane
SMILESCCC(C)(COC)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O2/c1-4-8(2,5-16-3)6-17-7-9(11,12)10(13,14)15/h4-7H2,1-3H3
InChIKeyPPQITZPMBVBYJS-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.26
Rot. Bonds7

About 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane

1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane (PubChem CID 118582146) has the molecular formula C10H17F5O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane
PubChem CID118582146
Molecular FormulaC10H17F5O2
Molecular Weight264.23 g/mol
Exact Mass264.11
IUPAC Name1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane
SMILESCCC(C)(COC)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O2/c1-4-8(2,5-16-3)6-17-7-9(11,12)10(13,14)15/h4-7H2,1-3H3
InChIKeyPPQITZPMBVBYJS-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane?
The IUPAC name of 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane (CID 118582146) is 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane.
What is the SMILES notation for 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane?
The canonical SMILES for 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane is CCC(C)(COC)COCC(F)(F)C(F)(F)F.
What is the InChIKey of 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane?
The InChIKey is PPQITZPMBVBYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O2/c1-4-8(2,5-16-3)6-17-7-9(11,12)10(13,14)15/h4-7H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane?
1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane has a molecular weight of 264.23 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butane is sourced from PubChem (CID 118582146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).