2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine

C12H15F8NO — CID 160565386

IUPAC2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine
SMILESCC(C)=C(N1CC(C)OC(C(F)(F)F)C1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F8NO/c1-6(2)9(10(13,14)12(18,19)20)21-4-7(3)22-8(5-21)11(15,16)17/h7-8H,4-5H2,1-3H3
InChIKeyGIPTZXSZAABFLT-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.13
Rot. Bonds2

About 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine

2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine (PubChem CID 160565386) has the molecular formula C12H15F8NO and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine
PubChem CID160565386
Molecular FormulaC12H15F8NO
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC Name2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine
SMILESCC(C)=C(N1CC(C)OC(C(F)(F)F)C1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F8NO/c1-6(2)9(10(13,14)12(18,19)20)21-4-7(3)22-8(5-21)11(15,16)17/h7-8H,4-5H2,1-3H3
InChIKeyGIPTZXSZAABFLT-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine?
The IUPAC name of 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine (CID 160565386) is 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine?
The canonical SMILES for 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine is CC(C)=C(N1CC(C)OC(C(F)(F)F)C1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine?
The InChIKey is GIPTZXSZAABFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F8NO/c1-6(2)9(10(13,14)12(18,19)20)21-4-7(3)22-8(5-21)11(15,16)17/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine?
2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine has a molecular weight of 341.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 160565386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).