ethyl 2,2,3,3-tetrafluoropropyl carbonate

C6H8F4O3 — CID 42634538

IUPACethyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESCCOC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H8F4O3/c1-2-12-5(11)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3
InChIKeyDDRDJHHMIJOBDV-UHFFFAOYSA-N
MW204.12 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2,2,3,3-tetrafluoropropyl carbonate

ethyl 2,2,3,3-tetrafluoropropyl carbonate (PubChem CID 42634538) has the molecular formula C6H8F4O3 and a molecular weight of 204.12 g/mol. Its IUPAC name is ethyl 2,2,3,3-tetrafluoropropyl carbonate.

Molecular Properties

Compound Nameethyl 2,2,3,3-tetrafluoropropyl carbonate
PubChem CID42634538
Molecular FormulaC6H8F4O3
Molecular Weight204.12 g/mol
Exact Mass204.04
IUPAC Nameethyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESCCOC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H8F4O3/c1-2-12-5(11)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3
InChIKeyDDRDJHHMIJOBDV-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 2,2,2-trifluoroethyl carbonate
CID 17761042
Ethyl 2,2,2-trifluoroethyl carbonate
CID 21263423
Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
CID 11495583
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
Ethanol, 2-fluoro-, 1,1'-carbonate
CID 9840
Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Bis(2,2-difluoroethyl) carbonate
CID 15985041
1-Fluoroethyl propyl carbonate
CID 150572044
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,3,3-tetrafluoropropyl carbonate?
The IUPAC name of ethyl 2,2,3,3-tetrafluoropropyl carbonate (CID 42634538) is ethyl 2,2,3,3-tetrafluoropropyl carbonate.
What is the SMILES notation for ethyl 2,2,3,3-tetrafluoropropyl carbonate?
The canonical SMILES for ethyl 2,2,3,3-tetrafluoropropyl carbonate is CCOC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of ethyl 2,2,3,3-tetrafluoropropyl carbonate?
The InChIKey is DDRDJHHMIJOBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O3/c1-2-12-5(11)13-3-6(9,10)4(7)8/h4H,2-3H2,1H3.
What are the key properties of ethyl 2,2,3,3-tetrafluoropropyl carbonate?
ethyl 2,2,3,3-tetrafluoropropyl carbonate has a molecular weight of 204.12 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3,3-tetrafluoropropyl carbonate is sourced from PubChem (CID 42634538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).