2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate

C9H12F5NO3 — CID 59012962

IUPAC2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c10-8(11,9(12,13)14)6-18-7(16)5-15-1-3-17-4-2-15/h1-6H2
InChIKeyBNNBNRNKKPJJDE-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.06
Rot. Bonds4

About 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate

2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate (PubChem CID 59012962) has the molecular formula C9H12F5NO3 and a molecular weight of 277.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate
PubChem CID59012962
Molecular FormulaC9H12F5NO3
Molecular Weight277.19 g/mol
Exact Mass277.07
IUPAC Name2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO3/c10-8(11,9(12,13)14)6-18-7(16)5-15-1-3-17-4-2-15/h1-6H2
InChIKeyBNNBNRNKKPJJDE-UHFFFAOYSA-N
XLogP1.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate (CID 59012962) is 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate?
The InChIKey is BNNBNRNKKPJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO3/c10-8(11,9(12,13)14)6-18-7(16)5-15-1-3-17-4-2-15/h1-6H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate?
2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate has a molecular weight of 277.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 59012962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).