2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine

C9H12F5NO — CID 146541118

IUPAC2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
SMILESCC1CN(C(=C(F)F)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H12F5NO/c1-5-3-15(4-6(2)16-5)7(8(10)11)9(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyMTLXHAKVJUAROR-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.77
Rot. Bonds1

About 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine

2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine (PubChem CID 146541118) has the molecular formula C9H12F5NO and a molecular weight of 245.19 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
PubChem CID146541118
Molecular FormulaC9H12F5NO
Molecular Weight245.19 g/mol
Exact Mass245.08
IUPAC Name2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
SMILESCC1CN(C(=C(F)F)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H12F5NO/c1-5-3-15(4-6(2)16-5)7(8(10)11)9(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyMTLXHAKVJUAROR-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine (CID 146541118) is 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine is CC1CN(C(=C(F)F)C(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
The InChIKey is MTLXHAKVJUAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO/c1-5-3-15(4-6(2)16-5)7(8(10)11)9(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine has a molecular weight of 245.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine is sourced from PubChem (CID 146541118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).