trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide

C10H11BF3O- — CID 63677686

IUPACtrifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
SMILESC=C(C)COc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C10H11BF3O/c1-8(2)7-15-10-5-3-9(4-6-10)11(12,13)14/h3-6H,1,7H2,2H3/q-1
InChIKeyYNMBOOSEQASPHF-UHFFFAOYSA-N
MW215.00 g/mol
LogP2.70
Rot. Bonds4

About trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide

trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide (PubChem CID 63677686) has the molecular formula C10H11BF3O- and a molecular weight of 215.00 g/mol. Its IUPAC name is trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
PubChem CID63677686
Molecular FormulaC10H11BF3O-
Molecular Weight215.00 g/mol
Exact Mass215.09
IUPAC Nametrifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
SMILESC=C(C)COc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C10H11BF3O/c1-8(2)7-15-10-5-3-9(4-6-10)11(12,13)14/h3-6H,1,7H2,2H3/q-1
InChIKeyYNMBOOSEQASPHF-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

[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
trifluoro-[4-(4-methoxybutoxy)phenyl]boranuide
CID 104648207
potassium trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677653
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
CID 131845691
CID 131845691
3-bromo-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82136357
1-[4-(2-methylprop-2-enoxy)phenyl]-N-propan-2-ylpropan-2-amine
CID 82262496
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
N-[4-(2-methylprop-2-enoxy)phenyl]formamide
CID 10559618

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide (CID 63677686) is trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide is C=C(C)COc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide?
The InChIKey is YNMBOOSEQASPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3O/c1-8(2)7-15-10-5-3-9(4-6-10)11(12,13)14/h3-6H,1,7H2,2H3/q-1.
What are the key properties of trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide?
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide 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 trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide is sourced from PubChem (CID 63677686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).