5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one

C10H16F3NO2 — CID 59685372

IUPAC5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC(CCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C10H16F3NO2/c1-8(2-3-10(11,12)13)9(15)14-4-6-16-7-5-14/h8H,2-7H2,1H3
InChIKeyMFAYGUDBPOHJAJ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds3

About 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one

5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 59685372) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID59685372
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC(CCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C10H16F3NO2/c1-8(2-3-10(11,12)13)9(15)14-4-6-16-7-5-14/h8H,2-7H2,1H3
InChIKeyMFAYGUDBPOHJAJ-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-1-(4-morpholinyl)-1-hexanone
CID 98991
Pentanoic acid, morpholide
CID 304104
Morpholine, 4-(2,2-dimethylvaleryl)-
CID 202710
Morpholine, 4-(2-propylvaleryl)-
CID 200760
Morpholine,4-(2,2,4,4-tetramethylvaleryl)-
CID 208727
2-Methyl-1-morpholin-4-ylpentan-1-one
CID 4631081
N-(Diethylacetyl)morpholine
CID 3029382
3-Methyl-1-morpholin-4-ylbutan-1-one
CID 4557865
4-(2-Methylbutanoyl)morpholine
CID 4631080
1-Morpholin-4-yl-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propan-1-one
CID 26315521
1-[(3S)-3-ethylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617975
2,2-Difluoro-4-methyl-1-morpholin-4-ylpentan-1-one
CID 57700630

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one (CID 59685372) is 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one is CC(CCC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is MFAYGUDBPOHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-8(2-3-10(11,12)13)9(15)14-4-6-16-7-5-14/h8H,2-7H2,1H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one?
5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 59685372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).