bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol

C10H10F12O4 — CID 157360996

IUPACbis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol
SMILESO=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.OCC(F)(F)C(F)F
InChIInChI=1S/C7H6F8O3.C3H4F4O/c8-3(9)6(12,13)1-17-5(16)18-2-7(14,15)4(10)11;4-2(5)3(6,7)1-8/h3-4H,1-2H2;2,8H,1H2
InChIKeyBIQFGPMGGYVFED-UHFFFAOYSA-N
MW422.16 g/mol
LogP3.82
Rot. Bonds8

About bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol

bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol (PubChem CID 157360996) has the molecular formula C10H10F12O4 and a molecular weight of 422.16 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol
PubChem CID157360996
Molecular FormulaC10H10F12O4
Molecular Weight422.16 g/mol
Exact Mass422.04
IUPAC Namebis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol
SMILESO=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.OCC(F)(F)C(F)F
InChIInChI=1S/C7H6F8O3.C3H4F4O/c8-3(9)6(12,13)1-17-5(16)18-2-7(14,15)4(10)11;4-2(5)3(6,7)1-8/h3-4H,1-2H2;2,8H,1H2
InChIKeyBIQFGPMGGYVFED-UHFFFAOYSA-N
XLogP3.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Difluoromethyl ethyl carbonate;3,3,3-trifluoropropyl hydrogen carbonate
CID 87326299
Bis(2,2,2-trifluoroethyl) carbonate;2,2,2-trifluoroethanol
CID 87521313
Bis(2,2,3,3,3-pentafluoropropyl) carbonate;bis(2,2,3,3-tetrafluoropropyl) carbonate
CID 121482275
3-[(1,1-Difluoro-3-hydroxypropoxy)-difluoromethoxy]-3,3-difluoropropan-1-ol
CID 146391187
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
Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate;2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 159940703
Bis(2,2,3,4,4,4-hexafluorobutyl) carbonate;2,2,3,4,4,4-hexafluorobutan-1-ol
CID 159947323
1,1,1,3,3,3-Hexafluoropropan-2-yl 1,1,1-trifluoropropan-2-yl carbonate;propan-2-ol
CID 160173930
Propan-1-ol;propyl 3,3,3-trifluoropropyl carbonate
CID 162162054
Carbonic acid;bis(methyl 2,2,2-trifluoroethyl carbonate)
CID 169724443
Bis(2,2-difluoroethyl) carbonate;2,2-difluorobutyl hydrogen carbonate
CID 175898387

Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol?
The IUPAC name of bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol (CID 157360996) is bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol is O=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.OCC(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol?
The InChIKey is BIQFGPMGGYVFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O3.C3H4F4O/c8-3(9)6(12,13)1-17-5(16)18-2-7(14,15)4(10)11;4-2(5)3(6,7)1-8/h3-4H,1-2H2;2,8H,1H2.
What are the key properties of bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol?
bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol has a molecular weight of 422.16 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropyl) carbonate;2,2,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 157360996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).