2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane

C9H18F2O2 — CID 88944540

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

About 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane

2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane (PubChem CID 88944540) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane
PubChem CID88944540
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Name2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane
SMILESCCOCC(F)(F)COC(C)(C)C
InChIInChI=1S/C9H18F2O2/c1-5-12-6-9(10,11)7-13-8(2,3)4/h5-7H2,1-4H3
InChIKeyAUCUMOZCNRKPIK-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

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Related Compounds

2-(2,2-difluoropropoxy)-2-methylpropane
CID 88885864
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-(ethoxymethoxymethoxymethoxy)-2-methylpropane
CID 88544063
2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 165462395
2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
CID 158145131
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
1-[2,2-difluoro-3-(trifluoromethoxy)propoxy]-3-methylpentan-3-ol
CID 118549273
3-ethoxy-1,1,1,2-tetrafluoro-2-methoxypropane
CID 58859573

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane?
The IUPAC name of 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane (CID 88944540) is 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane.
What is the SMILES notation for 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane?
The canonical SMILES for 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane is CCOCC(F)(F)COC(C)(C)C.
What is the InChIKey of 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane?
The InChIKey is AUCUMOZCNRKPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2/c1-5-12-6-9(10,11)7-13-8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane?
2-(3-ethoxy-2,2-difluoropropoxy)-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-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane is sourced from PubChem (CID 88944540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).