potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide

C13H9BF5KO — CID 114675043

IUPACpotassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
SMILESFc1ccccc1COc1cc([B-](F)(F)F)ccc1F.[K+]
InChIInChI=1S/C13H9BF5O.K/c15-11-4-2-1-3-9(11)8-20-13-7-10(14(17,18)19)5-6-12(13)16;/h1-7H,8H2;/q-1;+1
InChIKeyHKOBEANZXYCHIX-UHFFFAOYSA-N
MW326.11 g/mol
LogP0.60
Rot. Bonds4

About potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide

potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide (PubChem CID 114675043) has the molecular formula C13H9BF5KO and a molecular weight of 326.11 g/mol. Its IUPAC name is potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
PubChem CID114675043
Molecular FormulaC13H9BF5KO
Molecular Weight326.11 g/mol
Exact Mass326.03
IUPAC Namepotassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide
SMILESFc1ccccc1COc1cc([B-](F)(F)F)ccc1F.[K+]
InChIInChI=1S/C13H9BF5O.K/c15-11-4-2-1-3-9(11)8-20-13-7-10(14(17,18)19)5-6-12(13)16;/h1-7H,8H2;/q-1;+1
InChIKeyHKOBEANZXYCHIX-UHFFFAOYSA-N
XLogP0.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 50.60
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 trifluoro-[4-fluoro-3-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114674951
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
potassium [4-[(2,5-difluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63678052
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622
potassium [3-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-fluorophenyl]-trifluoroboranuide
CID 106439057
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide (CID 114675043) is potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide is Fc1ccccc1COc1cc([B-](F)(F)F)ccc1F.[K+].
What is the InChIKey of potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide?
The InChIKey is HKOBEANZXYCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BF5O.K/c15-11-4-2-1-3-9(11)8-20-13-7-10(14(17,18)19)5-6-12(13)16;/h1-7H,8H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide?
potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide has a molecular weight of 326.11 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-fluoro-3-[(2-fluorophenyl)methoxy]phenyl]boranuide is sourced from PubChem (CID 114675043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).