2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one

C12H19F2NO2 — CID 168720300

IUPAC2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one
SMILESC=C(CC(F)(F)C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C12H19F2NO2/c1-9(2)10(3)8-12(13,14)11(16)15-4-6-17-7-5-15/h9H,3-8H2,1-2H3
InChIKeyTTWBVHDJRRRLNT-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.08
Rot. Bonds4

About 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one

2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one (PubChem CID 168720300) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one
PubChem CID168720300
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one
SMILESC=C(CC(F)(F)C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C12H19F2NO2/c1-9(2)10(3)8-12(13,14)11(16)15-4-6-17-7-5-15/h9H,3-8H2,1-2H3
InChIKeyTTWBVHDJRRRLNT-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one (CID 168720300) is 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one is C=C(CC(F)(F)C(=O)N1CCOCC1)C(C)C.
What is the InChIKey of 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one?
The InChIKey is TTWBVHDJRRRLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-9(2)10(3)8-12(13,14)11(16)15-4-6-17-7-5-15/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one?
2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one has a molecular weight of 247.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-4-methylidene-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 168720300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).