propyl 2,2,3,3-tetrafluoropropyl carbonate

C7H10F4O3 — CID 86228713

IUPACpropyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESCCCOC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C7H10F4O3/c1-2-3-13-6(12)14-4-7(10,11)5(8)9/h5H,2-4H2,1H3
InChIKeyFXGNWQQBLSFFAP-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.45
Rot. Bonds5

About propyl 2,2,3,3-tetrafluoropropyl carbonate

propyl 2,2,3,3-tetrafluoropropyl carbonate (PubChem CID 86228713) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is propyl 2,2,3,3-tetrafluoropropyl carbonate.

Molecular Properties

Compound Namepropyl 2,2,3,3-tetrafluoropropyl carbonate
PubChem CID86228713
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Namepropyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESCCCOC(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C7H10F4O3/c1-2-3-13-6(12)14-4-7(10,11)5(8)9/h5H,2-4H2,1H3
InChIKeyFXGNWQQBLSFFAP-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.45
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
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Bis(2,2-difluoroethyl) carbonate
CID 15985041
1-Fluoroethyl propyl carbonate
CID 150572044
1,1,2,2,8,8,9,9-Octafluoro-4,6-dioxanonane
CID 12839497
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042

Frequently Asked Questions

What is the IUPAC name of propyl 2,2,3,3-tetrafluoropropyl carbonate?
The IUPAC name of propyl 2,2,3,3-tetrafluoropropyl carbonate (CID 86228713) is propyl 2,2,3,3-tetrafluoropropyl carbonate.
What is the SMILES notation for propyl 2,2,3,3-tetrafluoropropyl carbonate?
The canonical SMILES for propyl 2,2,3,3-tetrafluoropropyl carbonate is CCCOC(=O)OCC(F)(F)C(F)F.
What is the InChIKey of propyl 2,2,3,3-tetrafluoropropyl carbonate?
The InChIKey is FXGNWQQBLSFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c1-2-3-13-6(12)14-4-7(10,11)5(8)9/h5H,2-4H2,1H3.
What are the key properties of propyl 2,2,3,3-tetrafluoropropyl carbonate?
propyl 2,2,3,3-tetrafluoropropyl carbonate has a molecular weight of 218.15 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,2,3,3-tetrafluoropropyl carbonate is sourced from PubChem (CID 86228713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).