2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane

C6H10F4O — CID 88557605

IUPAC2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane
SMILESCC(F)(F)OC(C)(C)C(F)F
InChIInChI=1S/C6H10F4O/c1-5(2,4(7)8)11-6(3,9)10/h4H,1-3H3
InChIKeyMRWRYMUGAIRLNB-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.66
Rot. Bonds3

About 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane

2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane (PubChem CID 88557605) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane.

Molecular Properties

Compound Name2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane
PubChem CID88557605
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane
SMILESCC(F)(F)OC(C)(C)C(F)F
InChIInChI=1S/C6H10F4O/c1-5(2,4(7)8)11-6(3,9)10/h4H,1-3H3
InChIKeyMRWRYMUGAIRLNB-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane?
The IUPAC name of 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane (CID 88557605) is 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane.
What is the SMILES notation for 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane?
The canonical SMILES for 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane is CC(F)(F)OC(C)(C)C(F)F.
What is the InChIKey of 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane?
The InChIKey is MRWRYMUGAIRLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-5(2,4(7)8)11-6(3,9)10/h4H,1-3H3.
What are the key properties of 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane?
2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane has a molecular weight of 174.14 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxy)-1,1-difluoro-2-methylpropane is sourced from PubChem (CID 88557605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).