trifluoro(prop-2-enyl)boranuide

C3H5BF3- — CID 10909718

IUPACtrifluoro(prop-2-enyl)boranuide
SMILESC=CC[B-](F)(F)F
InChIInChI=1S/C3H5BF3/c1-2-3-4(5,6)7/h2H,1,3H2/q-1
InChIKeyDQWVAAWANRXNEG-UHFFFAOYSA-N
MW108.88 g/mol
LogP2.02
Rot. Bonds2

About trifluoro(prop-2-enyl)boranuide

trifluoro(prop-2-enyl)boranuide (PubChem CID 10909718) has the molecular formula C3H5BF3- and a molecular weight of 108.88 g/mol. Its IUPAC name is trifluoro(prop-2-enyl)boranuide.

Molecular Properties

Compound Nametrifluoro(prop-2-enyl)boranuide
PubChem CID10909718
Molecular FormulaC3H5BF3-
Molecular Weight108.88 g/mol
Exact Mass109.04
IUPAC Nametrifluoro(prop-2-enyl)boranuide
SMILESC=CC[B-](F)(F)F
InChIInChI=1S/C3H5BF3/c1-2-3-4(5,6)7/h2H,1,3H2/q-1
InChIKeyDQWVAAWANRXNEG-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.88
LogP ≤ 52.02
H-Bond Donors ≤ 50
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

potassium but-3-enyl(trifluoro)boranuide
CID 23666761
prop-2-enylazanium tetrafluoroborate
CID 87318754
fluoro-tris(prop-2-enoxy)boranuide
CID 170534151
bis(prop-2-enyl)azanium tetrafluoroborate
CID 19002275
potassium trifluoro-[(prop-2-enylamino)methyl]boranuide
CID 55280003
trifluoro-[[methyl(prop-2-enyl)azaniumyl]methyl]boranuide
CID 140686856
CID 173451818
CID 173451818
CID 173241572
CID 173241572
N-prop-2-enylhydroxylamine;hydrate
CID 173055199
butyl-tris(prop-2-enyl)boranuide
CID 14320351
Potassium allyloxide
CID 87828396
potassium;alumane;3-fluoroprop-1-ene;hydride
CID 173128672

Frequently Asked Questions

What is the IUPAC name of trifluoro(prop-2-enyl)boranuide?
The IUPAC name of trifluoro(prop-2-enyl)boranuide (CID 10909718) is trifluoro(prop-2-enyl)boranuide.
What is the SMILES notation for trifluoro(prop-2-enyl)boranuide?
The canonical SMILES for trifluoro(prop-2-enyl)boranuide is C=CC[B-](F)(F)F.
What is the InChIKey of trifluoro(prop-2-enyl)boranuide?
The InChIKey is DQWVAAWANRXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BF3/c1-2-3-4(5,6)7/h2H,1,3H2/q-1.
What are the key properties of trifluoro(prop-2-enyl)boranuide?
trifluoro(prop-2-enyl)boranuide has a molecular weight of 108.88 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(prop-2-enyl)boranuide is sourced from PubChem (CID 10909718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).