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

C6H11F3O3 — CID 10976236

IUPAC1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane
SMILESCOCCOCOCC(F)(F)F
InChIInChI=1S/C6H11F3O3/c1-10-2-3-11-5-12-4-6(7,8)9/h2-5H2,1H3
InChIKeyVELOOMPEOHFDNC-UHFFFAOYSA-N
MW188.14 g/mol
LogP1.19
Rot. Bonds6

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

1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane (PubChem CID 10976236) has the molecular formula C6H11F3O3 and a molecular weight of 188.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane
PubChem CID10976236
Molecular FormulaC6H11F3O3
Molecular Weight188.14 g/mol
Exact Mass188.07
IUPAC Name1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane
SMILESCOCCOCOCC(F)(F)F
InChIInChI=1S/C6H11F3O3/c1-10-2-3-11-5-12-4-6(7,8)9/h2-5H2,1H3
InChIKeyVELOOMPEOHFDNC-UHFFFAOYSA-N
XLogP1.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethane, 1,1-diethoxy-2,2,2-trifluoro-
CID 207952
1,1-Difluoro-2-[(2-methoxyethoxy)methoxy]ethylene
CID 11275304
1,1-Diethoxy-2,2-difluoroethane
CID 85792662
2-(2,2-Difluoroethoxy)-1,1-diethoxyethane
CID 82006423
1-[Difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane
CID 15219437
1,1-Difluoro-1-(methoxymethoxy)ethane
CID 21052055
1-[Ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane
CID 23553809
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
2-(1,2-Diethoxyethoxy)-1,1,1-trifluoroethane
CID 53808631
2-[Bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane
CID 56776439
1-(Ethoxymethoxy)-1,1,2,2,2-pentafluoroethane
CID 57724308
1-(2-Fluoroethoxy)-1,2-dimethoxyethane
CID 58454458

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane (CID 10976236) is 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane is COCCOCOCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane?
The InChIKey is VELOOMPEOHFDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O3/c1-10-2-3-11-5-12-4-6(7,8)9/h2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane?
1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane has a molecular weight of 188.14 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methoxyethoxymethoxy)ethane is sourced from PubChem (CID 10976236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).