2,2,2-trifluoroethoxymethanol

C3H5F3O2 — CID 54216280

IUPAC2,2,2-trifluoroethoxymethanol
SMILESOCOCC(F)(F)F
InChIInChI=1S/C3H5F3O2/c4-3(5,6)1-8-2-7/h7H,1-2H2
InChIKeyVJVXXRKBKVPFSJ-UHFFFAOYSA-N
MW130.06 g/mol
LogP0.52
Rot. Bonds2

About 2,2,2-trifluoroethoxymethanol

2,2,2-trifluoroethoxymethanol (PubChem CID 54216280) has the molecular formula C3H5F3O2 and a molecular weight of 130.06 g/mol. Its IUPAC name is 2,2,2-trifluoroethoxymethanol.

Molecular Properties

Compound Name2,2,2-trifluoroethoxymethanol
PubChem CID54216280
Molecular FormulaC3H5F3O2
Molecular Weight130.06 g/mol
Exact Mass130.02
IUPAC Name2,2,2-trifluoroethoxymethanol
SMILESOCOCC(F)(F)F
InChIInChI=1S/C3H5F3O2/c4-3(5,6)1-8-2-7/h7H,1-2H2
InChIKeyVJVXXRKBKVPFSJ-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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 2,2,2-trifluoroethoxymethanol?
The IUPAC name of 2,2,2-trifluoroethoxymethanol (CID 54216280) is 2,2,2-trifluoroethoxymethanol.
What is the SMILES notation for 2,2,2-trifluoroethoxymethanol?
The canonical SMILES for 2,2,2-trifluoroethoxymethanol is OCOCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethoxymethanol?
The InChIKey is VJVXXRKBKVPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2/c4-3(5,6)1-8-2-7/h7H,1-2H2.
What are the key properties of 2,2,2-trifluoroethoxymethanol?
2,2,2-trifluoroethoxymethanol has a molecular weight of 130.06 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethoxymethanol is sourced from PubChem (CID 54216280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).