3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide

C9H16BF3NO- — CID 106745724

IUPAC3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CC(C)OCC1C)[B-](F)(F)F
InChIInChI=1S/C9H16BF3NO/c1-7(10(11,12)13)4-14-5-9(3)15-6-8(14)2/h8-9H,1,4-6H2,2-3H3/q-1
InChIKeyKWWFLOIAHVMHOL-UHFFFAOYSA-N
MW222.04 g/mol
LogP2.04
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide

3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745724) has the molecular formula C9H16BF3NO- and a molecular weight of 222.04 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745724
Molecular FormulaC9H16BF3NO-
Molecular Weight222.04 g/mol
Exact Mass222.13
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CC(C)OCC1C)[B-](F)(F)F
InChIInChI=1S/C9H16BF3NO/c1-7(10(11,12)13)4-14-5-9(3)15-6-8(14)2/h8-9H,1,4-6H2,2-3H3/q-1
InChIKeyKWWFLOIAHVMHOL-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.04
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 94066325
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
4-(2-iodoethyl)-2,5-dimethylmorpholine
CID 130977867
2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]acetonitrile
CID 93044958
3-(2,5-dimethylmorpholin-4-yl)propanethioamide
CID 43544623
2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43796472
2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 64798114
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793090
1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 62624456
2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methylbutan-1-ol
CID 62272394

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106745724) is 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CC(C)OCC1C)[B-](F)(F)F.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is KWWFLOIAHVMHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3NO/c1-7(10(11,12)13)4-14-5-9(3)15-6-8(14)2/h8-9H,1,4-6H2,2-3H3/q-1.
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide?
3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 222.04 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).