4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine

C13H21BrF3NO — CID 15893136

IUPAC4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine
SMILESCCCCCC/C(Br)=C(/N1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H21BrF3NO/c1-2-3-4-5-6-11(14)12(13(15,16)17)18-7-9-19-10-8-18/h2-10H2,1H3/b12-11-
InChIKeyXYCJUKSXEUJBRT-QXMHVHEDSA-N
MW344.22 g/mol
LogP4.46
Rot. Bonds6

About 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine

4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine (PubChem CID 15893136) has the molecular formula C13H21BrF3NO and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine
PubChem CID15893136
Molecular FormulaC13H21BrF3NO
Molecular Weight344.22 g/mol
Exact Mass343.08
IUPAC Name4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine
SMILESCCCCCC/C(Br)=C(/N1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H21BrF3NO/c1-2-3-4-5-6-11(14)12(13(15,16)17)18-7-9-19-10-8-18/h2-10H2,1H3/b12-11-
InChIKeyXYCJUKSXEUJBRT-QXMHVHEDSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 79065458
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
2-morpholin-4-ylundec-2-en-6-one
CID 57160366
1,4-dioxane;tetradecane
CID 159034856
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CID 168720239
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CID 118275570
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CID 139318939

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine (CID 15893136) is 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine is CCCCCC/C(Br)=C(/N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine?
The InChIKey is XYCJUKSXEUJBRT-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H21BrF3NO/c1-2-3-4-5-6-11(14)12(13(15,16)17)18-7-9-19-10-8-18/h2-10H2,1H3/b12-11-.
What are the key properties of 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine?
4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine has a molecular weight of 344.22 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine is sourced from PubChem (CID 15893136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).