1,1,1-trifluoro-2,2-dimethoxyethane

C4H7F3O2 — CID 2776875

IUPAC1,1,1-trifluoro-2,2-dimethoxyethane
SMILESCOC(OC)C(F)(F)F
InChIInChI=1S/C4H7F3O2/c1-8-3(9-2)4(5,6)7/h3H,1-2H3
InChIKeyCXKDYOYYYNKCRV-UHFFFAOYSA-N
MW144.09 g/mol
LogP1.17
Rot. Bonds2

About 1,1,1-trifluoro-2,2-dimethoxyethane

1,1,1-trifluoro-2,2-dimethoxyethane (PubChem CID 2776875) has the molecular formula C4H7F3O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-dimethoxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-dimethoxyethane
PubChem CID2776875
Molecular FormulaC4H7F3O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Name1,1,1-trifluoro-2,2-dimethoxyethane
SMILESCOC(OC)C(F)(F)F
InChIInChI=1S/C4H7F3O2/c1-8-3(9-2)4(5,6)7/h3H,1-2H3
InChIKeyCXKDYOYYYNKCRV-UHFFFAOYSA-N
XLogP1.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 51.17
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-2,2-dimethoxyethane?
The IUPAC name of 1,1,1-trifluoro-2,2-dimethoxyethane (CID 2776875) is 1,1,1-trifluoro-2,2-dimethoxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2,2-dimethoxyethane?
The canonical SMILES for 1,1,1-trifluoro-2,2-dimethoxyethane is COC(OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-dimethoxyethane?
The InChIKey is CXKDYOYYYNKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2/c1-8-3(9-2)4(5,6)7/h3H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2,2-dimethoxyethane?
1,1,1-trifluoro-2,2-dimethoxyethane has a molecular weight of 144.09 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2-dimethoxyethane is sourced from PubChem (CID 2776875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).