propyl 1,1,2-trifluoroethyl carbonate

C6H9F3O3 — CID 87131908

IUPACpropyl 1,1,2-trifluoroethyl carbonate
SMILESCCCOC(=O)OC(F)(F)CF
InChIInChI=1S/C6H9F3O3/c1-2-3-11-5(10)12-6(8,9)4-7/h2-4H2,1H3
InChIKeyYFZWSHBZKGLQSY-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.11
Rot. Bonds4

About propyl 1,1,2-trifluoroethyl carbonate

propyl 1,1,2-trifluoroethyl carbonate (PubChem CID 87131908) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is propyl 1,1,2-trifluoroethyl carbonate.

Molecular Properties

Compound Namepropyl 1,1,2-trifluoroethyl carbonate
PubChem CID87131908
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Namepropyl 1,1,2-trifluoroethyl carbonate
SMILESCCCOC(=O)OC(F)(F)CF
InChIInChI=1S/C6H9F3O3/c1-2-3-11-5(10)12-6(8,9)4-7/h2-4H2,1H3
InChIKeyYFZWSHBZKGLQSY-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 1,1,2-trifluoroethyl carbonate?
The IUPAC name of propyl 1,1,2-trifluoroethyl carbonate (CID 87131908) is propyl 1,1,2-trifluoroethyl carbonate.
What is the SMILES notation for propyl 1,1,2-trifluoroethyl carbonate?
The canonical SMILES for propyl 1,1,2-trifluoroethyl carbonate is CCCOC(=O)OC(F)(F)CF.
What is the InChIKey of propyl 1,1,2-trifluoroethyl carbonate?
The InChIKey is YFZWSHBZKGLQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-2-3-11-5(10)12-6(8,9)4-7/h2-4H2,1H3.
What are the key properties of propyl 1,1,2-trifluoroethyl carbonate?
propyl 1,1,2-trifluoroethyl carbonate has a molecular weight of 186.13 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1,1,2-trifluoroethyl carbonate is sourced from PubChem (CID 87131908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).