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

C5H9F3O3 — CID 14149933

IUPAC3-(2,2,2-trifluoroethoxy)propane-1,2-diol
SMILESOCC(O)COCC(F)(F)F
InChIInChI=1S/C5H9F3O3/c6-5(7,8)3-11-2-4(10)1-9/h4,9-10H,1-3H2
InChIKeyJCKKSEPCFAOARL-UHFFFAOYSA-N
MW174.12 g/mol
LogP-0.08
Rot. Bonds4

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

3-(2,2,2-trifluoroethoxy)propane-1,2-diol (PubChem CID 14149933) has the molecular formula C5H9F3O3 and a molecular weight of 174.12 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)propane-1,2-diol
PubChem CID14149933
Molecular FormulaC5H9F3O3
Molecular Weight174.12 g/mol
Exact Mass174.05
IUPAC Name3-(2,2,2-trifluoroethoxy)propane-1,2-diol
SMILESOCC(O)COCC(F)(F)F
InChIInChI=1S/C5H9F3O3/c6-5(7,8)3-11-2-4(10)1-9/h4,9-10H,1-3H2
InChIKeyJCKKSEPCFAOARL-UHFFFAOYSA-N
XLogP-0.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)propane-1,2-diol?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)propane-1,2-diol (CID 14149933) is 3-(2,2,2-trifluoroethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)propane-1,2-diol is OCC(O)COCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)propane-1,2-diol?
The InChIKey is JCKKSEPCFAOARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O3/c6-5(7,8)3-11-2-4(10)1-9/h4,9-10H,1-3H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)propane-1,2-diol?
3-(2,2,2-trifluoroethoxy)propane-1,2-diol has a molecular weight of 174.12 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)propane-1,2-diol is sourced from PubChem (CID 14149933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).