2-(ethoxymethyl)-1,1,1-trifluorobutane

C7H13F3O — CID 22002892

IUPAC2-(ethoxymethyl)-1,1,1-trifluorobutane
SMILESCCOCC(CC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-6(5-11-4-2)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyJYZNJRVXHAWCHI-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.61
Rot. Bonds4

About 2-(ethoxymethyl)-1,1,1-trifluorobutane

2-(ethoxymethyl)-1,1,1-trifluorobutane (PubChem CID 22002892) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,1,1-trifluorobutane.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,1,1-trifluorobutane
PubChem CID22002892
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name2-(ethoxymethyl)-1,1,1-trifluorobutane
SMILESCCOCC(CC)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-6(5-11-4-2)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyJYZNJRVXHAWCHI-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,1,1-trifluorobutane?
The IUPAC name of 2-(ethoxymethyl)-1,1,1-trifluorobutane (CID 22002892) is 2-(ethoxymethyl)-1,1,1-trifluorobutane.
What is the SMILES notation for 2-(ethoxymethyl)-1,1,1-trifluorobutane?
The canonical SMILES for 2-(ethoxymethyl)-1,1,1-trifluorobutane is CCOCC(CC)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethyl)-1,1,1-trifluorobutane?
The InChIKey is JYZNJRVXHAWCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-6(5-11-4-2)7(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1,1,1-trifluorobutane?
2-(ethoxymethyl)-1,1,1-trifluorobutane has a molecular weight of 170.17 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,1,1-trifluorobutane is sourced from PubChem (CID 22002892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).