3-fluoro-4-hexylmorpholine

C10H20FNO — CID 67944016

IUPAC3-fluoro-4-hexylmorpholine
SMILESCCCCCCN1CCOCC1F
InChIInChI=1S/C10H20FNO/c1-2-3-4-5-6-12-7-8-13-9-10(12)11/h10H,2-9H2,1H3
InChIKeyOMASEWAOCVUALO-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.19
Rot. Bonds5

About 3-fluoro-4-hexylmorpholine

3-fluoro-4-hexylmorpholine (PubChem CID 67944016) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-4-hexylmorpholine.

Molecular Properties

Compound Name3-fluoro-4-hexylmorpholine
PubChem CID67944016
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-4-hexylmorpholine
SMILESCCCCCCN1CCOCC1F
InChIInChI=1S/C10H20FNO/c1-2-3-4-5-6-12-7-8-13-9-10(12)11/h10H,2-9H2,1H3
InChIKeyOMASEWAOCVUALO-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hexylmorpholine?
The IUPAC name of 3-fluoro-4-hexylmorpholine (CID 67944016) is 3-fluoro-4-hexylmorpholine.
What is the SMILES notation for 3-fluoro-4-hexylmorpholine?
The canonical SMILES for 3-fluoro-4-hexylmorpholine is CCCCCCN1CCOCC1F.
What is the InChIKey of 3-fluoro-4-hexylmorpholine?
The InChIKey is OMASEWAOCVUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-3-4-5-6-12-7-8-13-9-10(12)11/h10H,2-9H2,1H3.
What are the key properties of 3-fluoro-4-hexylmorpholine?
3-fluoro-4-hexylmorpholine has a molecular weight of 189.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hexylmorpholine is sourced from PubChem (CID 67944016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).