(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate

C12H16F7NO3 — CID 58855365

IUPAC(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate
SMILESO=COC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C12H16F7NO3/c13-10(14,7-11(15,16)12(17,18)19)5-9(23-8-21)6-20-1-3-22-4-2-20/h8-9H,1-7H2
InChIKeyKKMJNDWKQSNFFI-UHFFFAOYSA-N
MW355.25 g/mol
LogP2.47
Rot. Bonds8

About (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate

(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate (PubChem CID 58855365) has the molecular formula C12H16F7NO3 and a molecular weight of 355.25 g/mol. Its IUPAC name is (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate.

Molecular Properties

Compound Name(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate
PubChem CID58855365
Molecular FormulaC12H16F7NO3
Molecular Weight355.25 g/mol
Exact Mass355.10
IUPAC Name(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate
SMILESO=COC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F
InChIInChI=1S/C12H16F7NO3/c13-10(14,7-11(15,16)12(17,18)19)5-9(23-8-21)6-20-1-3-22-4-2-20/h8-9H,1-7H2
InChIKeyKKMJNDWKQSNFFI-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate?
The IUPAC name of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate (CID 58855365) is (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate.
What is the SMILES notation for (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate?
The canonical SMILES for (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate is O=COC(CN1CCOCC1)CC(F)(F)CC(F)(F)C(F)(F)F.
What is the InChIKey of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate?
The InChIKey is KKMJNDWKQSNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F7NO3/c13-10(14,7-11(15,16)12(17,18)19)5-9(23-8-21)6-20-1-3-22-4-2-20/h8-9H,1-7H2.
What are the key properties of (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate?
(4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate has a molecular weight of 355.25 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,6,6,7,7,7-heptafluoro-1-morpholin-4-ylheptan-2-yl) formate is sourced from PubChem (CID 58855365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).