ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane

C9H19F3O2 — CID 87765890

IUPACethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane
SMILESCCOCC.COC(F)(F)C(C)(C)F
InChIInChI=1S/C5H9F3O.C4H10O/c1-4(2,6)5(7,8)9-3;1-3-5-4-2/h1-3H3;3-4H2,1-2H3
InChIKeyNDADAOJQQCGAMH-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.02
Rot. Bonds4

About ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane

ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane (PubChem CID 87765890) has the molecular formula C9H19F3O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane.

Molecular Properties

Compound Nameethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane
PubChem CID87765890
Molecular FormulaC9H19F3O2
Molecular Weight216.24 g/mol
Exact Mass216.13
IUPAC Nameethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane
SMILESCCOCC.COC(F)(F)C(C)(C)F
InChIInChI=1S/C5H9F3O.C4H10O/c1-4(2,6)5(7,8)9-3;1-3-5-4-2/h1-3H3;3-4H2,1-2H3
InChIKeyNDADAOJQQCGAMH-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane?
The IUPAC name of ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane (CID 87765890) is ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane.
What is the SMILES notation for ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane?
The canonical SMILES for ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane is CCOCC.COC(F)(F)C(C)(C)F.
What is the InChIKey of ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane?
The InChIKey is NDADAOJQQCGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O.C4H10O/c1-4(2,6)5(7,8)9-3;1-3-5-4-2/h1-3H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane?
ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane has a molecular weight of 216.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1,1,2-trifluoro-1-methoxy-2-methylpropane is sourced from PubChem (CID 87765890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).