trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide

C10H10BF4O- — CID 63704334

IUPACtrifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
SMILESC=C(C)COc1ccc(F)cc1[B-](F)(F)F
InChIInChI=1S/C10H10BF4O/c1-7(2)6-16-10-4-3-8(12)5-9(10)11(13,14)15/h3-5H,1,6H2,2H3/q-1
InChIKeyQXUXGBMKWCXTML-UHFFFAOYSA-N
MW232.99 g/mol
LogP2.84
Rot. Bonds4

About trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide

trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide (PubChem CID 63704334) has the molecular formula C10H10BF4O- and a molecular weight of 232.99 g/mol. Its IUPAC name is trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
PubChem CID63704334
Molecular FormulaC10H10BF4O-
Molecular Weight232.99 g/mol
Exact Mass233.08
IUPAC Nametrifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide
SMILESC=C(C)COc1ccc(F)cc1[B-](F)(F)F
InChIInChI=1S/C10H10BF4O/c1-7(2)6-16-10-4-3-8(12)5-9(10)11(13,14)15/h3-5H,1,6H2,2H3/q-1
InChIKeyQXUXGBMKWCXTML-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.99
LogP ≤ 52.84
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

potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
CID 114472982
potassium trifluoro-[5-fluoro-2-(2-methylidenebutoxy)phenyl]boranuide
CID 66044783
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
potassium trifluoro-[5-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 115514504
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
potassium trifluoro-[5-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]boranuide
CID 113233041
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573

Frequently Asked Questions

What is the IUPAC name of trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide (CID 63704334) is trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide is C=C(C)COc1ccc(F)cc1[B-](F)(F)F.
What is the InChIKey of trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide?
The InChIKey is QXUXGBMKWCXTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF4O/c1-7(2)6-16-10-4-3-8(12)5-9(10)11(13,14)15/h3-5H,1,6H2,2H3/q-1.
What are the key properties of trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide?
trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide has a molecular weight of 232.99 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[5-fluoro-2-(2-methylprop-2-enoxy)phenyl]boranuide is sourced from PubChem (CID 63704334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).