2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane

C9H18F2O2 — CID 129117775

IUPAC2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane
SMILESCC(F)(F)COCCOC(C)(C)C
InChIInChI=1S/C9H18F2O2/c1-8(2,3)13-6-5-12-7-9(4,10)11/h5-7H2,1-4H3
InChIKeyKCYGEQQGCBJRSJ-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane

2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane (PubChem CID 129117775) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane
PubChem CID129117775
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Name2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane
SMILESCC(F)(F)COCCOC(C)(C)C
InChIInChI=1S/C9H18F2O2/c1-8(2,3)13-6-5-12-7-9(4,10)11/h5-7H2,1-4H3
InChIKeyKCYGEQQGCBJRSJ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane?
The IUPAC name of 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane (CID 129117775) is 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane is CC(F)(F)COCCOC(C)(C)C.
What is the InChIKey of 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane?
The InChIKey is KCYGEQQGCBJRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2/c1-8(2,3)13-6-5-12-7-9(4,10)11/h5-7H2,1-4H3.
What are the key properties of 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane?
2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane has a molecular weight of 196.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoropropoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 129117775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).