4-ethoxy-1,2,2-trifluoro-3-methylbutane

C7H13F3O — CID 15507745

IUPAC4-ethoxy-1,2,2-trifluoro-3-methylbutane
SMILESCCOCC(C)C(F)(F)CF
InChIInChI=1S/C7H13F3O/c1-3-11-4-6(2)7(9,10)5-8/h6H,3-5H2,1-2H3
InChIKeyMFTJXAKHIQCLTO-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.26
Rot. Bonds5

About 4-ethoxy-1,2,2-trifluoro-3-methylbutane

4-ethoxy-1,2,2-trifluoro-3-methylbutane (PubChem CID 15507745) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-ethoxy-1,2,2-trifluoro-3-methylbutane.

Molecular Properties

Compound Name4-ethoxy-1,2,2-trifluoro-3-methylbutane
PubChem CID15507745
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name4-ethoxy-1,2,2-trifluoro-3-methylbutane
SMILESCCOCC(C)C(F)(F)CF
InChIInChI=1S/C7H13F3O/c1-3-11-4-6(2)7(9,10)5-8/h6H,3-5H2,1-2H3
InChIKeyMFTJXAKHIQCLTO-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,2,2-trifluoro-3-methylbutane?
The IUPAC name of 4-ethoxy-1,2,2-trifluoro-3-methylbutane (CID 15507745) is 4-ethoxy-1,2,2-trifluoro-3-methylbutane.
What is the SMILES notation for 4-ethoxy-1,2,2-trifluoro-3-methylbutane?
The canonical SMILES for 4-ethoxy-1,2,2-trifluoro-3-methylbutane is CCOCC(C)C(F)(F)CF.
What is the InChIKey of 4-ethoxy-1,2,2-trifluoro-3-methylbutane?
The InChIKey is MFTJXAKHIQCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-11-4-6(2)7(9,10)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 4-ethoxy-1,2,2-trifluoro-3-methylbutane?
4-ethoxy-1,2,2-trifluoro-3-methylbutane has a molecular weight of 170.17 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,2,2-trifluoro-3-methylbutane is sourced from PubChem (CID 15507745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).