ethanol;ethyl 2,2,2-trifluoroethyl carbonate

C7H13F3O4 — CID 157476610

IUPACethanol;ethyl 2,2,2-trifluoroethyl carbonate
SMILESCCO.CCOC(=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O3.C2H6O/c1-2-10-4(9)11-3-5(6,7)8;1-2-3/h2-3H2,1H3;3H,2H2,1H3
InChIKeyBVQZSWCFDLZRTM-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.72
Rot. Bonds2

About ethanol;ethyl 2,2,2-trifluoroethyl carbonate

ethanol;ethyl 2,2,2-trifluoroethyl carbonate (PubChem CID 157476610) has the molecular formula C7H13F3O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is ethanol;ethyl 2,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Nameethanol;ethyl 2,2,2-trifluoroethyl carbonate
PubChem CID157476610
Molecular FormulaC7H13F3O4
Molecular Weight218.17 g/mol
Exact Mass218.08
IUPAC Nameethanol;ethyl 2,2,2-trifluoroethyl carbonate
SMILESCCO.CCOC(=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O3.C2H6O/c1-2-10-4(9)11-3-5(6,7)8;1-2-3/h2-3H2,1H3;3H,2H2,1H3
InChIKeyBVQZSWCFDLZRTM-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039
1,1-Difluoroethyl ethyl carbonate
CID 87128737
Difluoromethyl ethyl carbonate;3,3,3-trifluoropropyl hydrogen carbonate
CID 87326299
Bis(2,2,2-trifluoroethyl) carbonate;2,2,2-trifluoroethanol
CID 87521313
Bis(fluoromethyl) carbonate;2,2,2-trifluoroethyl hydrogen carbonate
CID 121452114
Carboxy 4,4-difluorobutyl carbonate
CID 150737604
Carboxy 1-fluoroethyl carbonate
CID 154402954
Methyl hydrogen carbonate;2,2,2-trifluoroethyl hydrogen carbonate
CID 157476351
Methyl 2,2,2-trifluoroethyl carbonate;2,2,2-trifluoroethanol
CID 157578803
Ethyl 2,2,3,3-tetrafluoropropyl carbonate;2,2,3,3-tetrafluoropropan-1-ol
CID 157765626
Diethyl carbonate;methyl 2,2,2-trifluoroethyl carbonate
CID 160051344
1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,1-trifluoropropan-2-yl carbonate;propan-2-ol
CID 160173930

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 2,2,2-trifluoroethyl carbonate?
The IUPAC name of ethanol;ethyl 2,2,2-trifluoroethyl carbonate (CID 157476610) is ethanol;ethyl 2,2,2-trifluoroethyl carbonate.
What is the SMILES notation for ethanol;ethyl 2,2,2-trifluoroethyl carbonate?
The canonical SMILES for ethanol;ethyl 2,2,2-trifluoroethyl carbonate is CCO.CCOC(=O)OCC(F)(F)F.
What is the InChIKey of ethanol;ethyl 2,2,2-trifluoroethyl carbonate?
The InChIKey is BVQZSWCFDLZRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3.C2H6O/c1-2-10-4(9)11-3-5(6,7)8;1-2-3/h2-3H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;ethyl 2,2,2-trifluoroethyl carbonate?
ethanol;ethyl 2,2,2-trifluoroethyl carbonate has a molecular weight of 218.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 2,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 157476610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).