2,2,2-trifluoro-1-methoxyethane-1,1-diol

C3H5F3O3 — CID 71363760

IUPAC2,2,2-trifluoro-1-methoxyethane-1,1-diol
SMILESCOC(O)(O)C(F)(F)F
InChIInChI=1S/C3H5F3O3/c1-9-3(7,8)2(4,5)6/h7-8H,1H3
InChIKeyBMYYTIWPCUOKPF-UHFFFAOYSA-N
MW146.06 g/mol
LogP-0.17
Rot. Bonds1

About 2,2,2-trifluoro-1-methoxyethane-1,1-diol

2,2,2-trifluoro-1-methoxyethane-1,1-diol (PubChem CID 71363760) has the molecular formula C3H5F3O3 and a molecular weight of 146.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxyethane-1,1-diol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxyethane-1,1-diol
PubChem CID71363760
Molecular FormulaC3H5F3O3
Molecular Weight146.06 g/mol
Exact Mass146.02
IUPAC Name2,2,2-trifluoro-1-methoxyethane-1,1-diol
SMILESCOC(O)(O)C(F)(F)F
InChIInChI=1S/C3H5F3O3/c1-9-3(7,8)2(4,5)6/h7-8H,1H3
InChIKeyBMYYTIWPCUOKPF-UHFFFAOYSA-N
XLogP-0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.06
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
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 2,2,2-trifluoro-1-methoxyethane-1,1-diol?
The IUPAC name of 2,2,2-trifluoro-1-methoxyethane-1,1-diol (CID 71363760) is 2,2,2-trifluoro-1-methoxyethane-1,1-diol.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxyethane-1,1-diol?
The canonical SMILES for 2,2,2-trifluoro-1-methoxyethane-1,1-diol is COC(O)(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxyethane-1,1-diol?
The InChIKey is BMYYTIWPCUOKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O3/c1-9-3(7,8)2(4,5)6/h7-8H,1H3.
What are the key properties of 2,2,2-trifluoro-1-methoxyethane-1,1-diol?
2,2,2-trifluoro-1-methoxyethane-1,1-diol has a molecular weight of 146.06 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-methoxyethane-1,1-diol is sourced from PubChem (CID 71363760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).