trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide

C7H12BF3NO- — CID 56655901

IUPACtrifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
SMILESC=C(CN1CCOCC1)[B-](F)(F)F
InChIInChI=1S/C7H12BF3NO/c1-7(8(9,10)11)6-12-2-4-13-5-3-12/h1-6H2/q-1
InChIKeySSICOUFRCIFUMJ-UHFFFAOYSA-N
MW193.98 g/mol
LogP1.26
Rot. Bonds3

About trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide

trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide (PubChem CID 56655901) has the molecular formula C7H12BF3NO- and a molecular weight of 193.98 g/mol. Its IUPAC name is trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
PubChem CID56655901
Molecular FormulaC7H12BF3NO-
Molecular Weight193.98 g/mol
Exact Mass194.10
IUPAC Nametrifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
SMILESC=C(CN1CCOCC1)[B-](F)(F)F
InChIInChI=1S/C7H12BF3NO/c1-7(8(9,10)11)6-12-2-4-13-5-3-12/h1-6H2/q-1
InChIKeySSICOUFRCIFUMJ-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 51.26
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

potassium trifluoro-[3-(1,4-oxazepan-4-yl)prop-1-en-2-yl]boranuide
CID 106746009
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
potassium trifluoro-[3-(4-methyl-1,4-diazepan-1-yl)prop-1-en-2-yl]boranuide
CID 56655995
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746003
potassium trifluoro-[3-(1,4-thiazepan-4-yl)prop-1-en-2-yl]boranuide
CID 106745855
potassium 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746051
potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746001
potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746265
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
4-(2-methylbuta-2,3-dienyl)morpholine
CID 14891012
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 107394507

Frequently Asked Questions

What is the IUPAC name of trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide?
The IUPAC name of trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide (CID 56655901) is trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide.
What is the SMILES notation for trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide?
The canonical SMILES for trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide is C=C(CN1CCOCC1)[B-](F)(F)F.
What is the InChIKey of trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide?
The InChIKey is SSICOUFRCIFUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BF3NO/c1-7(8(9,10)11)6-12-2-4-13-5-3-12/h1-6H2/q-1.
What are the key properties of trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide?
trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide has a molecular weight of 193.98 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 56655901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).