bis(1,1,1-trifluoropropan-2-yl) carbonate

C7H8F6O3 — CID 57226030

IUPACbis(1,1,1-trifluoropropan-2-yl) carbonate
SMILESCC(OC(=O)OC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6O3/c1-3(6(8,9)10)15-5(14)16-4(2)7(11,12)13/h3-4H,1-2H3
InChIKeySEDFXKPTDJKEDU-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.04
Rot. Bonds2

About bis(1,1,1-trifluoropropan-2-yl) carbonate

bis(1,1,1-trifluoropropan-2-yl) carbonate (PubChem CID 57226030) has the molecular formula C7H8F6O3 and a molecular weight of 254.13 g/mol. Its IUPAC name is bis(1,1,1-trifluoropropan-2-yl) carbonate.

Molecular Properties

Compound Namebis(1,1,1-trifluoropropan-2-yl) carbonate
PubChem CID57226030
Molecular FormulaC7H8F6O3
Molecular Weight254.13 g/mol
Exact Mass254.04
IUPAC Namebis(1,1,1-trifluoropropan-2-yl) carbonate
SMILESCC(OC(=O)OC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6O3/c1-3(6(8,9)10)15-5(14)16-4(2)7(11,12)13/h3-4H,1-2H3
InChIKeySEDFXKPTDJKEDU-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039
Perfluoroacetone ethyl methyl ketal
CID 19707458
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871
Bis-(tetrafluoropropyl)-carbonate
CID 87308878
Bis(hexafluoroisopropyl) carbonate
CID 10959380
Ethyl hexafluoroisopropyl carbonate
CID 54538262
1,1,1,2,2-Pentafluoropentan-3-yl carbonate
CID 57371100
1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propane
CID 10943786

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1-trifluoropropan-2-yl) carbonate?
The IUPAC name of bis(1,1,1-trifluoropropan-2-yl) carbonate (CID 57226030) is bis(1,1,1-trifluoropropan-2-yl) carbonate.
What is the SMILES notation for bis(1,1,1-trifluoropropan-2-yl) carbonate?
The canonical SMILES for bis(1,1,1-trifluoropropan-2-yl) carbonate is CC(OC(=O)OC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1-trifluoropropan-2-yl) carbonate?
The InChIKey is SEDFXKPTDJKEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O3/c1-3(6(8,9)10)15-5(14)16-4(2)7(11,12)13/h3-4H,1-2H3.
What are the key properties of bis(1,1,1-trifluoropropan-2-yl) carbonate?
bis(1,1,1-trifluoropropan-2-yl) carbonate has a molecular weight of 254.13 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1-trifluoropropan-2-yl) carbonate is sourced from PubChem (CID 57226030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).