1,1,1-trifluoro-2-(1-methoxyethoxy)ethane

C5H9F3O2 — CID 87508044

IUPAC1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
SMILESCOC(C)OCC(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(9-2)10-3-5(6,7)8/h4H,3H2,1-2H3
InChIKeyUHBNCWJLECJZSR-UHFFFAOYSA-N
MW158.12 g/mol
LogP1.56
Rot. Bonds3

About 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane

1,1,1-trifluoro-2-(1-methoxyethoxy)ethane (PubChem CID 87508044) has the molecular formula C5H9F3O2 and a molecular weight of 158.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
PubChem CID87508044
Molecular FormulaC5H9F3O2
Molecular Weight158.12 g/mol
Exact Mass158.06
IUPAC Name1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
SMILESCOC(C)OCC(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(9-2)10-3-5(6,7)8/h4H,3H2,1-2H3
InChIKeyUHBNCWJLECJZSR-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane (CID 87508044) is 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane is COC(C)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane?
The InChIKey is UHBNCWJLECJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O2/c1-4(9-2)10-3-5(6,7)8/h4H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane?
1,1,1-trifluoro-2-(1-methoxyethoxy)ethane has a molecular weight of 158.12 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1-methoxyethoxy)ethane is sourced from PubChem (CID 87508044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).