2,2-didodecyl-3-fluoromorpholine

C28H56FNO — CID 141089196

IUPAC2,2-didodecyl-3-fluoromorpholine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)OCCNC1F
InChIInChI=1S/C28H56FNO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27(29)30-25-26-31-28)24-22-20-18-16-14-12-10-8-6-4-2/h27,30H,3-26H2,1-2H3
InChIKeyHWXRAHWGQZRBPU-UHFFFAOYSA-N
MW441.76 g/mol
LogP9.26
Rot. Bonds22

About 2,2-didodecyl-3-fluoromorpholine

2,2-didodecyl-3-fluoromorpholine (PubChem CID 141089196) has the molecular formula C28H56FNO and a molecular weight of 441.76 g/mol. Its IUPAC name is 2,2-didodecyl-3-fluoromorpholine.

Molecular Properties

Compound Name2,2-didodecyl-3-fluoromorpholine
PubChem CID141089196
Molecular FormulaC28H56FNO
Molecular Weight441.76 g/mol
Exact Mass441.43
IUPAC Name2,2-didodecyl-3-fluoromorpholine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)OCCNC1F
InChIInChI=1S/C28H56FNO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27(29)30-25-26-31-28)24-22-20-18-16-14-12-10-8-6-4-2/h27,30H,3-26H2,1-2H3
InChIKeyHWXRAHWGQZRBPU-UHFFFAOYSA-N
XLogP9.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.76
LogP ≤ 59.26
H-Bond Donors ≤ 51
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 2,2-didodecyl-3-fluoromorpholine?
The IUPAC name of 2,2-didodecyl-3-fluoromorpholine (CID 141089196) is 2,2-didodecyl-3-fluoromorpholine.
What is the SMILES notation for 2,2-didodecyl-3-fluoromorpholine?
The canonical SMILES for 2,2-didodecyl-3-fluoromorpholine is CCCCCCCCCCCCC1(CCCCCCCCCCCC)OCCNC1F.
What is the InChIKey of 2,2-didodecyl-3-fluoromorpholine?
The InChIKey is HWXRAHWGQZRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56FNO/c1-3-5-7-9-11-13-15-17-19-21-23-28(27(29)30-25-26-31-28)24-22-20-18-16-14-12-10-8-6-4-2/h27,30H,3-26H2,1-2H3.
What are the key properties of 2,2-didodecyl-3-fluoromorpholine?
2,2-didodecyl-3-fluoromorpholine has a molecular weight of 441.76 g/mol, XLogP of 9.26, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-didodecyl-3-fluoromorpholine is sourced from PubChem (CID 141089196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).