potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide

C10H9BClF4KO — CID 106439057

IUPACpotassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
SMILESC/C(=C/Cl)COc1cc([B-](F)(F)F)ccc1F.[K+]
InChIInChI=1S/C10H9BClF4O.K/c1-7(5-12)6-17-10-4-8(11(14,15)16)2-3-9(10)13;/h2-5H,6H2,1H3;/q-1;+1/b7-5-;
InChIKeyYKJXZTXFNLWZEP-YJOCEBFMSA-N
MW306.54 g/mol
LogP0.41
Rot. Bonds4

About potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide

potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide (PubChem CID 106439057) has the molecular formula C10H9BClF4KO and a molecular weight of 306.54 g/mol. Its IUPAC name is potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
PubChem CID106439057
Molecular FormulaC10H9BClF4KO
Molecular Weight306.54 g/mol
Exact Mass306.00
IUPAC Namepotassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
SMILESC/C(=C/Cl)COc1cc([B-](F)(F)F)ccc1F.[K+]
InChIInChI=1S/C10H9BClF4O.K/c1-7(5-12)6-17-10-4-8(11(14,15)16)2-3-9(10)13;/h2-5H,6H2,1H3;/q-1;+1/b7-5-;
InChIKeyYKJXZTXFNLWZEP-YJOCEBFMSA-N
XLogP0.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-methylphenyl]-trifluoroboranuide
CID 106439032
trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
CID 114675006
potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
CID 114674955
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid
CID 106439016
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
CID 114675043
potassium trifluoro-[4-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114674983
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
[4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-methylphenyl]-trifluoroboranuide
CID 106439052

Frequently Asked Questions

What is the IUPAC name of potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide?
The IUPAC name of potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide (CID 106439057) is potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide.
What is the SMILES notation for potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide?
The canonical SMILES for potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide is C/C(=C/Cl)COc1cc([B-](F)(F)F)ccc1F.[K+].
What is the InChIKey of potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide?
The InChIKey is YKJXZTXFNLWZEP-YJOCEBFMSA-N. The full InChI is InChI=1S/C10H9BClF4O.K/c1-7(5-12)6-17-10-4-8(11(14,15)16)2-3-9(10)13;/h2-5H,6H2,1H3;/q-1;+1/b7-5-;.
What are the key properties of potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide?
potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide has a molecular weight of 306.54 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide is sourced from PubChem (CID 106439057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).