2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine

C11H18F3NO — CID 134531057

IUPAC2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine
SMILESC=C(C)C(F)(F)C(F)N1CC(C)OC(C)C1
InChIInChI=1S/C11H18F3NO/c1-7(2)11(13,14)10(12)15-5-8(3)16-9(4)6-15/h8-10H,1,5-6H2,2-4H3
InChIKeyLKQFMZZRDMSYGI-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.60
Rot. Bonds3

About 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine

2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine (PubChem CID 134531057) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine
PubChem CID134531057
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine
SMILESC=C(C)C(F)(F)C(F)N1CC(C)OC(C)C1
InChIInChI=1S/C11H18F3NO/c1-7(2)11(13,14)10(12)15-5-8(3)16-9(4)6-15/h8-10H,1,5-6H2,2-4H3
InChIKeyLKQFMZZRDMSYGI-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.60
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 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine (CID 134531057) is 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine is C=C(C)C(F)(F)C(F)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine?
The InChIKey is LKQFMZZRDMSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-7(2)11(13,14)10(12)15-5-8(3)16-9(4)6-15/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine?
2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine has a molecular weight of 237.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine is sourced from PubChem (CID 134531057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).