2-fluoro-1,1,1-trimethoxyethane

C5H11FO3 — CID 155290520

IUPAC2-fluoro-1,1,1-trimethoxyethane
SMILESCOC(CF)(OC)OC
InChIInChI=1S/C5H11FO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
InChIKeyJZYKUOAGKNCVFV-UHFFFAOYSA-N
MW138.14 g/mol
LogP0.55
Rot. Bonds4

About 2-fluoro-1,1,1-trimethoxyethane

2-fluoro-1,1,1-trimethoxyethane (PubChem CID 155290520) has the molecular formula C5H11FO3 and a molecular weight of 138.14 g/mol. Its IUPAC name is 2-fluoro-1,1,1-trimethoxyethane.

Molecular Properties

Compound Name2-fluoro-1,1,1-trimethoxyethane
PubChem CID155290520
Molecular FormulaC5H11FO3
Molecular Weight138.14 g/mol
Exact Mass138.07
IUPAC Name2-fluoro-1,1,1-trimethoxyethane
SMILESCOC(CF)(OC)OC
InChIInChI=1S/C5H11FO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
InChIKeyJZYKUOAGKNCVFV-UHFFFAOYSA-N
XLogP0.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-fluoro-1,1,1-trimethoxyethane?
The IUPAC name of 2-fluoro-1,1,1-trimethoxyethane (CID 155290520) is 2-fluoro-1,1,1-trimethoxyethane.
What is the SMILES notation for 2-fluoro-1,1,1-trimethoxyethane?
The canonical SMILES for 2-fluoro-1,1,1-trimethoxyethane is COC(CF)(OC)OC.
What is the InChIKey of 2-fluoro-1,1,1-trimethoxyethane?
The InChIKey is JZYKUOAGKNCVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3.
What are the key properties of 2-fluoro-1,1,1-trimethoxyethane?
2-fluoro-1,1,1-trimethoxyethane has a molecular weight of 138.14 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,1,1-trimethoxyethane is sourced from PubChem (CID 155290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).