1,2,2-trifluoro-1-methoxyethanol

C3H5F3O2 — CID 86761433

IUPAC1,2,2-trifluoro-1-methoxyethanol
SMILESCOC(O)(F)C(F)F
InChIInChI=1S/C3H5F3O2/c1-8-3(6,7)2(4)5/h2,7H,1H3
InChIKeyYDZGVRWFDMCGLT-UHFFFAOYSA-N
MW130.06 g/mol
LogP0.51
Rot. Bonds2

About 1,2,2-trifluoro-1-methoxyethanol

1,2,2-trifluoro-1-methoxyethanol (PubChem CID 86761433) has the molecular formula C3H5F3O2 and a molecular weight of 130.06 g/mol. Its IUPAC name is 1,2,2-trifluoro-1-methoxyethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-1-methoxyethanol
PubChem CID86761433
Molecular FormulaC3H5F3O2
Molecular Weight130.06 g/mol
Exact Mass130.02
IUPAC Name1,2,2-trifluoro-1-methoxyethanol
SMILESCOC(O)(F)C(F)F
InChIInChI=1S/C3H5F3O2/c1-8-3(6,7)2(4)5/h2,7H,1H3
InChIKeyYDZGVRWFDMCGLT-UHFFFAOYSA-N
XLogP0.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.06
LogP ≤ 50.51
H-Bond Donors ≤ 51
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 1,2,2-trifluoro-1-methoxyethanol?
The IUPAC name of 1,2,2-trifluoro-1-methoxyethanol (CID 86761433) is 1,2,2-trifluoro-1-methoxyethanol.
What is the SMILES notation for 1,2,2-trifluoro-1-methoxyethanol?
The canonical SMILES for 1,2,2-trifluoro-1-methoxyethanol is COC(O)(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoro-1-methoxyethanol?
The InChIKey is YDZGVRWFDMCGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2/c1-8-3(6,7)2(4)5/h2,7H,1H3.
What are the key properties of 1,2,2-trifluoro-1-methoxyethanol?
1,2,2-trifluoro-1-methoxyethanol has a molecular weight of 130.06 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-1-methoxyethanol is sourced from PubChem (CID 86761433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).