3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate

C11H16F4O6 — CID 59431018

IUPAC3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate
SMILESCCC(F)(F)C(F)(F)COC(=O)OCCCOC(=O)OC
InChIInChI=1S/C11H16F4O6/c1-3-10(12,13)11(14,15)7-21-9(17)20-6-4-5-19-8(16)18-2/h3-7H2,1-2H3
InChIKeyOHLLHYJLCIBALK-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.99
Rot. Bonds8

About 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate

3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate (PubChem CID 59431018) has the molecular formula C11H16F4O6 and a molecular weight of 320.24 g/mol. Its IUPAC name is 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate.

Molecular Properties

Compound Name3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate
PubChem CID59431018
Molecular FormulaC11H16F4O6
Molecular Weight320.24 g/mol
Exact Mass320.09
IUPAC Name3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate
SMILESCCC(F)(F)C(F)(F)COC(=O)OCCCOC(=O)OC
InChIInChI=1S/C11H16F4O6/c1-3-10(12,13)11(14,15)7-21-9(17)20-6-4-5-19-8(16)18-2/h3-7H2,1-2H3
InChIKeyOHLLHYJLCIBALK-UHFFFAOYSA-N
XLogP2.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl 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

Bis(2,2,3,3,4,4,5,5-octafluoropentyl)carbonate
CID 14090569
2,2,3,3,4,4,5,5-Octafluoropentyl ethyl carbonate
CID 14533042
Methyl 2,2,3,3-tetrafluoropentyl carbonate
CID 59431017
Bis(2,2-difluorobutyl) carbonate
CID 87127816
Bis(1,1,1-trifluoropentan-2-yl) carbonate
CID 87131829
Bis(5,5,6,6,6-pentafluorohexyl) carbonate
CID 87131929
Bis(5-fluoropentyl) carbonate
CID 87131936
Bis(5,5-difluoropentan-2-yl) carbonate
CID 87132089
Bis(5,5-difluoropentyl) carbonate
CID 87132091
Bis(3,3,4,4,5,5,5-heptafluoropentyl) carbonate
CID 87132185
Bis(6,6-difluorohexyl) carbonate
CID 87132238
Bis(3-fluoropentyl) carbonate
CID 87132285

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate?
The IUPAC name of 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate (CID 59431018) is 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate.
What is the SMILES notation for 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate?
The canonical SMILES for 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate is CCC(F)(F)C(F)(F)COC(=O)OCCCOC(=O)OC.
What is the InChIKey of 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate?
The InChIKey is OHLLHYJLCIBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4O6/c1-3-10(12,13)11(14,15)7-21-9(17)20-6-4-5-19-8(16)18-2/h3-7H2,1-2H3.
What are the key properties of 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate?
3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate has a molecular weight of 320.24 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyloxypropyl 2,2,3,3-tetrafluoropentyl carbonate is sourced from PubChem (CID 59431018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).