4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine

C12H21F2NO — CID 134531059

IUPAC4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine
SMILESC=C(C)C(C)(F)C(F)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21F2NO/c1-8(2)12(5,14)11(13)15-6-9(3)16-10(4)7-15/h9-11H,1,6-7H2,2-5H3
InChIKeyFNOBMPVIGRGURQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.70
Rot. Bonds3

About 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine

4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine (PubChem CID 134531059) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine
PubChem CID134531059
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine
SMILESC=C(C)C(C)(F)C(F)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21F2NO/c1-8(2)12(5,14)11(13)15-6-9(3)16-10(4)7-15/h9-11H,1,6-7H2,2-5H3
InChIKeyFNOBMPVIGRGURQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine (CID 134531059) is 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine is C=C(C)C(C)(F)C(F)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine?
The InChIKey is FNOBMPVIGRGURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-8(2)12(5,14)11(13)15-6-9(3)16-10(4)7-15/h9-11H,1,6-7H2,2-5H3.
What are the key properties of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine?
4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine has a molecular weight of 233.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 134531059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).