potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide

C12H16BF4KO2 — CID 114674955

IUPACpotassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
SMILESCC(C)(C)OCCOc1cc([B-](F)(F)F)ccc1F.[K+]
InChIInChI=1S/C12H16BF4O2.K/c1-12(2,3)19-7-6-18-11-8-9(13(15,16)17)4-5-10(11)14;/h4-5,8H,6-7H2,1-3H3;/q-1;+1
InChIKeyYWOFZQUOSUOMNG-UHFFFAOYSA-N
MW318.16 g/mol
LogP0.08
Rot. Bonds5

About potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide

potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide (PubChem CID 114674955) has the molecular formula C12H16BF4KO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
PubChem CID114674955
Molecular FormulaC12H16BF4KO2
Molecular Weight318.16 g/mol
Exact Mass318.08
IUPAC Namepotassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide
SMILESCC(C)(C)OCCOc1cc([B-](F)(F)F)ccc1F.[K+]
InChIInChI=1S/C12H16BF4O2.K/c1-12(2,3)19-7-6-18-11-8-9(13(15,16)17)4-5-10(11)14;/h4-5,8H,6-7H2,1-3H3;/q-1;+1
InChIKeyYWOFZQUOSUOMNG-UHFFFAOYSA-N
XLogP0.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]boranuide
CID 114675006
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
potassium trifluoro-[4-fluoro-3-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 114674917
potassium trifluoro-[4-fluoro-3-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705337
potassium trifluoro-[4-fluoro-3-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 114675053
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
CID 114675043
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
CID 106439057
potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114674983
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide (CID 114674955) is potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide is CC(C)(C)OCCOc1cc([B-](F)(F)F)ccc1F.[K+].
What is the InChIKey of potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide?
The InChIKey is YWOFZQUOSUOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BF4O2.K/c1-12(2,3)19-7-6-18-11-8-9(13(15,16)17)4-5-10(11)14;/h4-5,8H,6-7H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide?
potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide has a molecular weight of 318.16 g/mol, XLogP of 0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boranuide is sourced from PubChem (CID 114674955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).