2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one

C11H9F12NO2 — CID 3333468

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H9F12NO2/c12-5(13)7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(25)24-1-3-26-4-2-24/h5H,1-4H2
InChIKeyULNBFZKARBAWAL-UHFFFAOYSA-N
MW415.17 g/mol
LogP3.29
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one (PubChem CID 3333468) has the molecular formula C11H9F12NO2 and a molecular weight of 415.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one
PubChem CID3333468
Molecular FormulaC11H9F12NO2
Molecular Weight415.17 g/mol
Exact Mass415.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H9F12NO2/c12-5(13)7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(25)24-1-3-26-4-2-24/h5H,1-4H2
InChIKeyULNBFZKARBAWAL-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Decanoylmorpholine
CID 94801
N-Octanoylmorpholine
CID 94795
4-Nonanoylmorpholine
CID 79182
N-Heptafluorobutyrylmorpholine
CID 544635
1-(4-Morpholinyl)-1-undecanone
CID 98730
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(morpholin-4-yl)heptan-1-one
CID 4668344
4-[2,2,3,3,4,4,5,5-Octafluoro-6-(4-morpholinyl)-6-oxohexanoyl]morpholine
CID 2063397
4-Heptanoylmorpholine
CID 99197
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one
CID 138396376
2-Fluoro-1-morpholinononan-1-one
CID 135391113
N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
CID 18684107
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one (CID 3333468) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one is O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one?
The InChIKey is ULNBFZKARBAWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F12NO2/c12-5(13)7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(25)24-1-3-26-4-2-24/h5H,1-4H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one has a molecular weight of 415.17 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 3333468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).