2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol

C7H13F3O3 — CID 134526982

IUPAC2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol
SMILESCOCCC(CO)(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O3/c1-13-3-2-6(4-11,5-12)7(8,9)10/h11-12H,2-5H2,1H3
InChIKeyRUDDUYODOLCGDX-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.56
Rot. Bonds5

About 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol

2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol (PubChem CID 134526982) has the molecular formula C7H13F3O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol
PubChem CID134526982
Molecular FormulaC7H13F3O3
Molecular Weight202.17 g/mol
Exact Mass202.08
IUPAC Name2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol
SMILESCOCCC(CO)(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O3/c1-13-3-2-6(4-11,5-12)7(8,9)10/h11-12H,2-5H2,1H3
InChIKeyRUDDUYODOLCGDX-UHFFFAOYSA-N
XLogP0.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol?
The IUPAC name of 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol (CID 134526982) is 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol is COCCC(CO)(CO)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol?
The InChIKey is RUDDUYODOLCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3/c1-13-3-2-6(4-11,5-12)7(8,9)10/h11-12H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol?
2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol has a molecular weight of 202.17 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2-(trifluoromethyl)propane-1,3-diol is sourced from PubChem (CID 134526982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).