[(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide

C6H9BF3O3- — CID 56954905

IUPAC[(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide
SMILESCCOC(=O)OC/C=C/[B-](F)(F)F
InChIInChI=1S/C6H9BF3O3/c1-2-12-6(11)13-5-3-4-7(8,9)10/h3-4H,2,5H2,1H3/q-1/b4-3+
InChIKeySWZRNUZZJQQPNA-ONEGZZNKSA-N
MW196.94 g/mol
LogP2.10
Rot. Bonds4

About [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide

[(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide (PubChem CID 56954905) has the molecular formula C6H9BF3O3- and a molecular weight of 196.94 g/mol. Its IUPAC name is [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide.

Molecular Properties

Compound Name[(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide
PubChem CID56954905
Molecular FormulaC6H9BF3O3-
Molecular Weight196.94 g/mol
Exact Mass197.06
IUPAC Name[(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide
SMILESCCOC(=O)OC/C=C/[B-](F)(F)F
InChIInChI=1S/C6H9BF3O3/c1-2-12-6(11)13-5-3-4-7(8,9)10/h3-4H,2,5H2,1H3/q-1/b4-3+
InChIKeySWZRNUZZJQQPNA-ONEGZZNKSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.94
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-ethoxycarbonyloxybut-2-enyl] acetate
CID 11127322
ethyl [(E)-4-methylpent-2-enyl] carbonate
CID 101429850
ethyl 2-oxoethyl carbonate
CID 87169722
[(E)-3-ethoxy-3-oxoprop-1-enyl]-trifluoroboranuide
CID 131235337
CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
[(E)-4-ethoxycarbonyloxy-2-methylbut-2-enyl] ethyl carbonate
CID 101011566
ethyl fluoro carbonate
CID 18542699
dimethyl 2-[(E)-6-ethoxycarbonyloxy-2-methylidenehex-4-enyl]propanedioate
CID 10686708

Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide?
The IUPAC name of [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide (CID 56954905) is [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide.
What is the SMILES notation for [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide?
The canonical SMILES for [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide is CCOC(=O)OC/C=C/[B-](F)(F)F.
What is the InChIKey of [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide?
The InChIKey is SWZRNUZZJQQPNA-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9BF3O3/c1-2-12-6(11)13-5-3-4-7(8,9)10/h3-4H,2,5H2,1H3/q-1/b4-3+.
What are the key properties of [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide?
[(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide has a molecular weight of 196.94 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethoxycarbonyloxyprop-1-enyl]-trifluoroboranuide is sourced from PubChem (CID 56954905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).