6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one

C11H18F3NO2 — CID 79045953

IUPAC6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one
SMILESCC(C)(C(=O)CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H18F3NO2/c1-10(2,15-5-7-17-8-6-15)9(16)3-4-11(12,13)14/h3-8H2,1-2H3
InChIKeyGOAXVXKPZYNHFW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.01
Rot. Bonds4

About 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one

6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one (PubChem CID 79045953) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one
PubChem CID79045953
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one
SMILESCC(C)(C(=O)CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H18F3NO2/c1-10(2,15-5-7-17-8-6-15)9(16)3-4-11(12,13)14/h3-8H2,1-2H3
InChIKeyGOAXVXKPZYNHFW-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one (CID 79045953) is 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one is CC(C)(C(=O)CCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one?
The InChIKey is GOAXVXKPZYNHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-10(2,15-5-7-17-8-6-15)9(16)3-4-11(12,13)14/h3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one?
6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one has a molecular weight of 253.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one is sourced from PubChem (CID 79045953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).