1,1,1-trifluoro-2,2,2-trimethoxyethane

C5H9F3O3 — CID 18927701

IUPAC1,1,1-trifluoro-2,2,2-trimethoxyethane
SMILESCOC(OC)(OC)C(F)(F)F
InChIInChI=1S/C5H9F3O3/c1-9-5(10-2,11-3)4(6,7)8/h1-3H3
InChIKeyYOPRCDRCWXCAMG-UHFFFAOYSA-N
MW174.12 g/mol
LogP1.14
Rot. Bonds3

About 1,1,1-trifluoro-2,2,2-trimethoxyethane

1,1,1-trifluoro-2,2,2-trimethoxyethane (PubChem CID 18927701) has the molecular formula C5H9F3O3 and a molecular weight of 174.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2,2-trimethoxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2,2-trimethoxyethane
PubChem CID18927701
Molecular FormulaC5H9F3O3
Molecular Weight174.12 g/mol
Exact Mass174.05
IUPAC Name1,1,1-trifluoro-2,2,2-trimethoxyethane
SMILESCOC(OC)(OC)C(F)(F)F
InChIInChI=1S/C5H9F3O3/c1-9-5(10-2,11-3)4(6,7)8/h1-3H3
InChIKeyYOPRCDRCWXCAMG-UHFFFAOYSA-N
XLogP1.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2,2,2-trimethoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-2,2-dimethoxypropane
CID 18927606
1-Fluoro-1,1-dimethoxyethane
CID 19762852
1,1-Difluoro-1-(methoxymethoxy)ethane
CID 21052055
1,1,1,2-Tetrafluoro-3,3,3-trimethoxypropane
CID 21504979
1,1-Difluoro-2,2-dimethoxyethene
CID 22247260
1,1,1-Trifluoro-2,2,2-tris(fluoromethoxy)ethane
CID 22495104
1,1,1,2-Tetrafluoro-2,2-bis(fluoromethoxy)ethane
CID 22495110
1,1,1-Trifluoro-3,3,3-trimethoxypropane
CID 58361442
1,1,1,2-Tetrafluoro-2,2-dimethoxyethane
CID 71363604
1,1,1-Trifluoro-4,4,4-trimethoxybutane
CID 79965104
1,1,1-Trifluoro-2,2-dimethoxybutane
CID 88220863
1,2,2-Trifluoro-1-methoxy-1-(trifluoromethoxy)ethane
CID 88354003

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2,2-trimethoxyethane?
The IUPAC name of 1,1,1-trifluoro-2,2,2-trimethoxyethane (CID 18927701) is 1,1,1-trifluoro-2,2,2-trimethoxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2,2,2-trimethoxyethane?
The canonical SMILES for 1,1,1-trifluoro-2,2,2-trimethoxyethane is COC(OC)(OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2,2-trimethoxyethane?
The InChIKey is YOPRCDRCWXCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O3/c1-9-5(10-2,11-3)4(6,7)8/h1-3H3.
What are the key properties of 1,1,1-trifluoro-2,2,2-trimethoxyethane?
1,1,1-trifluoro-2,2,2-trimethoxyethane has a molecular weight of 174.12 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2,2-trimethoxyethane is sourced from PubChem (CID 18927701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).