2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol

C6H11F3O3 — CID 59222461

IUPAC2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol
SMILESCC(CO)(CO)OCC(F)(F)F
InChIInChI=1S/C6H11F3O3/c1-5(2-10,3-11)12-4-6(7,8)9/h10-11H,2-4H2,1H3
InChIKeyMOWSUPNYVKFQSM-UHFFFAOYSA-N
MW188.14 g/mol
LogP0.31
Rot. Bonds4

About 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol

2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol (PubChem CID 59222461) has the molecular formula C6H11F3O3 and a molecular weight of 188.14 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol
PubChem CID59222461
Molecular FormulaC6H11F3O3
Molecular Weight188.14 g/mol
Exact Mass188.07
IUPAC Name2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol
SMILESCC(CO)(CO)OCC(F)(F)F
InChIInChI=1S/C6H11F3O3/c1-5(2-10,3-11)12-4-6(7,8)9/h10-11H,2-4H2,1H3
InChIKeyMOWSUPNYVKFQSM-UHFFFAOYSA-N
XLogP0.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol (CID 59222461) is 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol is CC(CO)(CO)OCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol?
The InChIKey is MOWSUPNYVKFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O3/c1-5(2-10,3-11)12-4-6(7,8)9/h10-11H,2-4H2,1H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol?
2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol has a molecular weight of 188.14 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethoxy)propane-1,3-diol is sourced from PubChem (CID 59222461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).