(3-but-2-enoxyphenyl)-trifluoroboranuide

C10H11BF3O- — CID 77016963

IUPAC(3-but-2-enoxyphenyl)-trifluoroboranuide
SMILESCC=CCOc1cccc([B-](F)(F)F)c1
InChIInChI=1S/C10H11BF3O/c1-2-3-7-15-10-6-4-5-9(8-10)11(12,13)14/h2-6,8H,7H2,1H3/q-1
InChIKeyOUWWNHBGPHPGBD-UHFFFAOYSA-N
MW215.00 g/mol
LogP2.70
Rot. Bonds4

About (3-but-2-enoxyphenyl)-trifluoroboranuide

(3-but-2-enoxyphenyl)-trifluoroboranuide (PubChem CID 77016963) has the molecular formula C10H11BF3O- and a molecular weight of 215.00 g/mol. Its IUPAC name is (3-but-2-enoxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(3-but-2-enoxyphenyl)-trifluoroboranuide
PubChem CID77016963
Molecular FormulaC10H11BF3O-
Molecular Weight215.00 g/mol
Exact Mass215.09
IUPAC Name(3-but-2-enoxyphenyl)-trifluoroboranuide
SMILESCC=CCOc1cccc([B-](F)(F)F)c1
InChIInChI=1S/C10H11BF3O/c1-2-3-7-15-10-6-4-5-9(8-10)11(12,13)14/h2-6,8H,7H2,1H3/q-1
InChIKeyOUWWNHBGPHPGBD-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.00
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

but-2-enoxybenzene
CID 564963
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
potassium (3-butoxyphenyl)-trifluoroboranuide
CID 63678259
(1S)-1-(3-but-2-enoxyphenyl)ethanol
CID 78934397
potassium [3-(ethoxymethoxy)phenyl]-trifluoroboranuide
CID 65369936
potassium trifluoro-(3-pentoxyphenyl)boranuide
CID 63676807
3-but-2-enoxybenzenesulfonic acid
CID 175251443
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55148751
potassium trifluoro-[3-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63678267
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]propan-1-amine
CID 60883169
ethyl 3-but-2-enoxybenzoate
CID 57207462

Frequently Asked Questions

What is the IUPAC name of (3-but-2-enoxyphenyl)-trifluoroboranuide?
The IUPAC name of (3-but-2-enoxyphenyl)-trifluoroboranuide (CID 77016963) is (3-but-2-enoxyphenyl)-trifluoroboranuide.
What is the SMILES notation for (3-but-2-enoxyphenyl)-trifluoroboranuide?
The canonical SMILES for (3-but-2-enoxyphenyl)-trifluoroboranuide is CC=CCOc1cccc([B-](F)(F)F)c1.
What is the InChIKey of (3-but-2-enoxyphenyl)-trifluoroboranuide?
The InChIKey is OUWWNHBGPHPGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3O/c1-2-3-7-15-10-6-4-5-9(8-10)11(12,13)14/h2-6,8H,7H2,1H3/q-1.
What are the key properties of (3-but-2-enoxyphenyl)-trifluoroboranuide?
(3-but-2-enoxyphenyl)-trifluoroboranuide has a molecular weight of 215.00 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-2-enoxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 77016963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).