potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide

C8H6BF4KO2 — CID 107693734

IUPACpotassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
SMILESO=Cc1ccc(OC[B-](F)(F)F)c(F)c1.[K+]
InChIInChI=1S/C8H6BF4O2.K/c10-7-3-6(4-14)1-2-8(7)15-5-9(11,12)13;/h1-4H,5H2;/q-1;+1
InChIKeyMWOINKMTLWAZQX-UHFFFAOYSA-N
MW260.04 g/mol
LogP-0.59
Rot. Bonds4

About potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide

potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide (PubChem CID 107693734) has the molecular formula C8H6BF4KO2 and a molecular weight of 260.04 g/mol. Its IUPAC name is potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
PubChem CID107693734
Molecular FormulaC8H6BF4KO2
Molecular Weight260.04 g/mol
Exact Mass260.00
IUPAC Namepotassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
SMILESO=Cc1ccc(OC[B-](F)(F)F)c(F)c1.[K+]
InChIInChI=1S/C8H6BF4O2.K/c10-7-3-6(4-14)1-2-8(7)15-5-9(11,12)13;/h1-4H,5H2;/q-1;+1
InChIKeyMWOINKMTLWAZQX-UHFFFAOYSA-N
XLogP-0.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-difluorophenoxy)methyl-trifluoroboranuide
CID 63702065
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
(E)-4-(2-fluoro-4-formylphenoxy)but-2-enoic acid
CID 107685164
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide (CID 107693734) is potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide is O=Cc1ccc(OC[B-](F)(F)F)c(F)c1.[K+].
What is the InChIKey of potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide?
The InChIKey is MWOINKMTLWAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BF4O2.K/c10-7-3-6(4-14)1-2-8(7)15-5-9(11,12)13;/h1-4H,5H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide?
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide has a molecular weight of 260.04 g/mol, XLogP of -0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide is sourced from PubChem (CID 107693734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).