hydroxy 2,2,2-trifluoroethyl carbonate

C3H3F3O4 — CID 91320510

IUPAChydroxy 2,2,2-trifluoroethyl carbonate
SMILESO=C(OO)OCC(F)(F)F
InChIInChI=1S/C3H3F3O4/c4-3(5,6)1-9-2(7)10-8/h8H,1H2
InChIKeyGRXHXTQEFWPDJY-UHFFFAOYSA-N
MW160.05 g/mol
LogP1.17
Rot. Bonds1

About hydroxy 2,2,2-trifluoroethyl carbonate

hydroxy 2,2,2-trifluoroethyl carbonate (PubChem CID 91320510) has the molecular formula C3H3F3O4 and a molecular weight of 160.05 g/mol. Its IUPAC name is hydroxy 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Namehydroxy 2,2,2-trifluoroethyl carbonate
PubChem CID91320510
Molecular FormulaC3H3F3O4
Molecular Weight160.05 g/mol
Exact Mass160.00
IUPAC Namehydroxy 2,2,2-trifluoroethyl carbonate
SMILESO=C(OO)OCC(F)(F)F
InChIInChI=1S/C3H3F3O4/c4-3(5,6)1-9-2(7)10-8/h8H,1H2
InChIKeyGRXHXTQEFWPDJY-UHFFFAOYSA-N
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.05
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoroethyl hydrogen carbonate
CID 22924600
1,2,2-Trifluoroethyl hydrogen carbonate
CID 54516242
2,2-Difluoroethyl carbonate
CID 21263418
2,2,2-Trifluoroethyl carbonate
CID 22924599
2,2,2-Trifluoroethoxycarbonyloxy carbonate
CID 160029716
Carboxyoxy 2,2,2-trifluoroethyl carbonate
CID 160029717

Frequently Asked Questions

What is the IUPAC name of hydroxy 2,2,2-trifluoroethyl carbonate?
The IUPAC name of hydroxy 2,2,2-trifluoroethyl carbonate (CID 91320510) is hydroxy 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for hydroxy 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for hydroxy 2,2,2-trifluoroethyl carbonate is O=C(OO)OCC(F)(F)F.
What is the InChIKey of hydroxy 2,2,2-trifluoroethyl carbonate?
The InChIKey is GRXHXTQEFWPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O4/c4-3(5,6)1-9-2(7)10-8/h8H,1H2.
What are the key properties of hydroxy 2,2,2-trifluoroethyl carbonate?
hydroxy 2,2,2-trifluoroethyl carbonate has a molecular weight of 160.05 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 91320510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).