1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate

C5H3F7O3 — CID 23432502

IUPAC1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
SMILESCOC(=O)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O3/c1-14-2(13)15-5(11,12)3(6,7)4(8,9)10/h1H3
InChIKeyPILOAHJGFSXUAY-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.56
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate

1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate (PubChem CID 23432502) has the molecular formula C5H3F7O3 and a molecular weight of 244.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
PubChem CID23432502
Molecular FormulaC5H3F7O3
Molecular Weight244.06 g/mol
Exact Mass244.00
IUPAC Name1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
SMILESCOC(=O)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O3/c1-14-2(13)15-5(11,12)3(6,7)4(8,9)10/h1H3
InChIKeyPILOAHJGFSXUAY-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate (CID 23432502) is 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate is COC(=O)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate?
The InChIKey is PILOAHJGFSXUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O3/c1-14-2(13)15-5(11,12)3(6,7)4(8,9)10/h1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate?
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate has a molecular weight of 244.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate is sourced from PubChem (CID 23432502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).