2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate

C6H6F6O3 — CID 99769531

IUPAC2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESO=C(OCC(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6F6O3/c7-3(8)1-14-5(13)15-2-6(11,12)4(9)10/h3-4H,1-2H2
InChIKeyDCJNEQBBLMAAMI-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.31
Rot. Bonds5

About 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate

2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate (PubChem CID 99769531) has the molecular formula C6H6F6O3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate.

Molecular Properties

Compound Name2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate
PubChem CID99769531
Molecular FormulaC6H6F6O3
Molecular Weight240.10 g/mol
Exact Mass240.02
IUPAC Name2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate
SMILESO=C(OCC(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6F6O3/c7-3(8)1-14-5(13)15-2-6(11,12)4(9)10/h3-4H,1-2H2
InChIKeyDCJNEQBBLMAAMI-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.31
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

1-O-ethyl 3-O-(2,2,3,3-tetrafluoropropyl) 2,2-diethylpropanedioate
CID 91734908
4-oxo-4-(2,2,3,3-tetrafluoropropoxy)but-2-enoate
CID 71381327
1-O-(2,2,3,4,4,4-hexafluorobutyl) 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91739714
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91727103
[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate
CID 99769633
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl [(3R)-2,2,3,4,4,4-hexafluorobutyl] carbonate
CID 99769610
2,2-difluoroethyl ethenyl carbonate
CID 87091206
4-O-(2,2,3,3,4,4,5,5-octafluoropentyl) 1-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91734901

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate?
The IUPAC name of 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate (CID 99769531) is 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate.
What is the SMILES notation for 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate?
The canonical SMILES for 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate is O=C(OCC(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate?
The InChIKey is DCJNEQBBLMAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O3/c7-3(8)1-14-5(13)15-2-6(11,12)4(9)10/h3-4H,1-2H2.
What are the key properties of 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate?
2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate has a molecular weight of 240.10 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate is sourced from PubChem (CID 99769531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).