trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide

C5H11BF3N — CID 140686856

IUPACtrifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide
SMILESC=CC[NH+](C)C[B-](F)(F)F
InChIInChI=1S/C5H10BF3N/c1-3-4-10(2)5-6(7,8)9/h3H,1,4-5H2,2H3/q-1/p+1
InChIKeyCCIAIKOKWLXGND-UHFFFAOYSA-O
MW152.96 g/mol
LogP0.07
Rot. Bonds4

About trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide

trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide (PubChem CID 140686856) has the molecular formula C5H11BF3N and a molecular weight of 152.96 g/mol. Its IUPAC name is trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide
PubChem CID140686856
Molecular FormulaC5H11BF3N
Molecular Weight152.96 g/mol
Exact Mass153.09
IUPAC Nametrifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide
SMILESC=CC[NH+](C)C[B-](F)(F)F
InChIInChI=1S/C5H10BF3N/c1-3-4-10(2)5-6(7,8)9/h3H,1,4-5H2,2H3/q-1/p+1
InChIKeyCCIAIKOKWLXGND-UHFFFAOYSA-O
XLogP0.07
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-methyl-prop-2-enylazanium
CID 58300933
trifluoro(prop-2-enyl)boranuide
CID 10909718
(diethylazaniumyl)methyl-trifluoroboranuide
CID 53243643
potassium but-3-enyl(trifluoro)boranuide
CID 23666761
prop-2-enylazanium tetrafluoroborate
CID 87318754
acetyl-bis(prop-2-enyl)azanium
CID 173290878
CID 10959378
CID 10959378
bis(prop-2-enyl)azanium tetrafluoroborate
CID 19002275
fluoro-tris(prop-2-enoxy)boranuide
CID 170534151
tris(prop-2-enyl)azanium acetate
CID 87689086
potassium trifluoro-[(prop-2-enylamino)methyl]boranuide
CID 55280003
3-bromoprop-1-ene;iodomethane
CID 174834999

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide (CID 140686856) is trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide is C=CC[NH+](C)C[B-](F)(F)F.
What is the InChIKey of trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide?
The InChIKey is CCIAIKOKWLXGND-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10BF3N/c1-3-4-10(2)5-6(7,8)9/h3H,1,4-5H2,2H3/q-1/p+1.
What are the key properties of trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide?
trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide has a molecular weight of 152.96 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide is sourced from PubChem (CID 140686856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).