2-fluoro-1-morpholin-4-ylnonan-1-one

C13H24FNO2 — CID 135391113

IUPAC2-fluoro-1-morpholin-4-ylnonan-1-one
SMILESCCCCCCCC(F)C(=O)N1CCOCC1
InChIInChI=1S/C13H24FNO2/c1-2-3-4-5-6-7-12(14)13(16)15-8-10-17-11-9-15/h12H,2-11H2,1H3
InChIKeyYQIJMJRMWQZART-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.54
Rot. Bonds7

About 2-fluoro-1-morpholin-4-ylnonan-1-one

2-fluoro-1-morpholin-4-ylnonan-1-one (PubChem CID 135391113) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-fluoro-1-morpholin-4-ylnonan-1-one.

Molecular Properties

Compound Name2-fluoro-1-morpholin-4-ylnonan-1-one
PubChem CID135391113
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name2-fluoro-1-morpholin-4-ylnonan-1-one
SMILESCCCCCCCC(F)C(=O)N1CCOCC1
InChIInChI=1S/C13H24FNO2/c1-2-3-4-5-6-7-12(14)13(16)15-8-10-17-11-9-15/h12H,2-11H2,1H3
InChIKeyYQIJMJRMWQZART-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.54
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

N-Decanoylmorpholine
CID 94801
N-Octanoylmorpholine
CID 94795
N-Myristoylmorpholine
CID 94792
Morpholine, 4-tridecanoyl-
CID 294274
4-Nonanoylmorpholine
CID 79182
1-(Morpholin-4-yl)hexadecan-1-one
CID 220414
1-(4-Morpholinyl)-1-hexanone
CID 95058
1-(4-Morpholinyl)-1-dodecanone
CID 94793
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
Pentanoic acid, morpholide
CID 304104
1-(2,6-Dimethylmorpholin-4-yl)nonan-1-one
CID 98719

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-morpholin-4-ylnonan-1-one?
The IUPAC name of 2-fluoro-1-morpholin-4-ylnonan-1-one (CID 135391113) is 2-fluoro-1-morpholin-4-ylnonan-1-one.
What is the SMILES notation for 2-fluoro-1-morpholin-4-ylnonan-1-one?
The canonical SMILES for 2-fluoro-1-morpholin-4-ylnonan-1-one is CCCCCCCC(F)C(=O)N1CCOCC1.
What is the InChIKey of 2-fluoro-1-morpholin-4-ylnonan-1-one?
The InChIKey is YQIJMJRMWQZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-2-3-4-5-6-7-12(14)13(16)15-8-10-17-11-9-15/h12H,2-11H2,1H3.
What are the key properties of 2-fluoro-1-morpholin-4-ylnonan-1-one?
2-fluoro-1-morpholin-4-ylnonan-1-one has a molecular weight of 245.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-morpholin-4-ylnonan-1-one is sourced from PubChem (CID 135391113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).