2-fluoro-2-hexylmorpholine

C10H20FNO — CID 67944017

IUPAC2-fluoro-2-hexylmorpholine
SMILESCCCCCCC1(F)CNCCO1
InChIInChI=1S/C10H20FNO/c1-2-3-4-5-6-10(11)9-12-7-8-13-10/h12H,2-9H2,1H3
InChIKeyGULFBAXBNLWPIU-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.24
Rot. Bonds5

About 2-fluoro-2-hexylmorpholine

2-fluoro-2-hexylmorpholine (PubChem CID 67944017) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-fluoro-2-hexylmorpholine.

Molecular Properties

Compound Name2-fluoro-2-hexylmorpholine
PubChem CID67944017
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-fluoro-2-hexylmorpholine
SMILESCCCCCCC1(F)CNCCO1
InChIInChI=1S/C10H20FNO/c1-2-3-4-5-6-10(11)9-12-7-8-13-10/h12H,2-9H2,1H3
InChIKeyGULFBAXBNLWPIU-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-hexylmorpholine?
The IUPAC name of 2-fluoro-2-hexylmorpholine (CID 67944017) is 2-fluoro-2-hexylmorpholine.
What is the SMILES notation for 2-fluoro-2-hexylmorpholine?
The canonical SMILES for 2-fluoro-2-hexylmorpholine is CCCCCCC1(F)CNCCO1.
What is the InChIKey of 2-fluoro-2-hexylmorpholine?
The InChIKey is GULFBAXBNLWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-3-4-5-6-10(11)9-12-7-8-13-10/h12H,2-9H2,1H3.
What are the key properties of 2-fluoro-2-hexylmorpholine?
2-fluoro-2-hexylmorpholine has a molecular weight of 189.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-hexylmorpholine is sourced from PubChem (CID 67944017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).