morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone

C11H8F11NO2 — CID 4185577

IUPACmorpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone
SMILESO=C(N1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H8F11NO2/c12-6(5(24)23-1-3-25-4-2-23)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1-4H2
InChIKeyMPGAKKOUWKGWAP-UHFFFAOYSA-N
MW395.17 g/mol
LogP2.74
Rot. Bonds1

About morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone

morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone (PubChem CID 4185577) has the molecular formula C11H8F11NO2 and a molecular weight of 395.17 g/mol. Its IUPAC name is morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone
PubChem CID4185577
Molecular FormulaC11H8F11NO2
Molecular Weight395.17 g/mol
Exact Mass395.04
IUPAC Namemorpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone
SMILESO=C(N1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H8F11NO2/c12-6(5(24)23-1-3-25-4-2-23)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1-4H2
InChIKeyMPGAKKOUWKGWAP-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone?
The IUPAC name of morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone (CID 4185577) is morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone.
What is the SMILES notation for morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone?
The canonical SMILES for morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone is O=C(N1CCOCC1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone?
The InChIKey is MPGAKKOUWKGWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F11NO2/c12-6(5(24)23-1-3-25-4-2-23)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1-4H2.
What are the key properties of morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone?
morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone has a molecular weight of 395.17 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone is sourced from PubChem (CID 4185577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).