bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate

C12H18F6O6 — CID 158671589

IUPACbis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate
SMILESCCCOC(=O)OCCC.O=C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H14O3.C5H4F6O3/c1-3-5-9-7(8)10-6-4-2;6-4(7,8)1-13-3(12)14-2-5(9,10)11/h3-6H2,1-2H3;1-2H2
InChIKeyIEADGDKJKDCNMR-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.22
Rot. Bonds6

About bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate

bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate (PubChem CID 158671589) has the molecular formula C12H18F6O6 and a molecular weight of 372.26 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate
PubChem CID158671589
Molecular FormulaC12H18F6O6
Molecular Weight372.26 g/mol
Exact Mass372.10
IUPAC Namebis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate
SMILESCCCOC(=O)OCCC.O=C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H14O3.C5H4F6O3/c1-3-5-9-7(8)10-6-4-2;6-4(7,8)1-13-3(12)14-2-5(9,10)11/h3-6H2,1-2H3;1-2H2
InChIKeyIEADGDKJKDCNMR-UHFFFAOYSA-N
XLogP4.22
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871
2,2-Difluoroethyl n-propyl carbonate
CID 15985038
Methyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 18183634
1,1,3,3-Tetraethoxy-1,2,2,3-tetrafluoropropane
CID 19981079
Butyl 3,3,3-trifluoropropyl carbonate
CID 22257382
Bis(3,3,3-trifluoropropyl) carbonate
CID 23432493
Ethyl 1,1,2,2,3,3,3-heptafluoropropyl carbonate
CID 23432496
Ethyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 26597286
Bis(3,3,4,4,4-pentafluorobutan-2-yl) carbonate
CID 56994089
Tert-butyl [2,2,3,3-tetrafluoro-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butyl] carbonate
CID 58361973

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate?
The IUPAC name of bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate (CID 158671589) is bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate is CCCOC(=O)OCCC.O=C(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate?
The InChIKey is IEADGDKJKDCNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C5H4F6O3/c1-3-5-9-7(8)10-6-4-2;6-4(7,8)1-13-3(12)14-2-5(9,10)11/h3-6H2,1-2H3;1-2H2.
What are the key properties of bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate?
bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate has a molecular weight of 372.26 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) carbonate;dipropyl carbonate is sourced from PubChem (CID 158671589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).