potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

C13H17BF3KO3 — CID 103135604

IUPACpotassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
SMILESCOc1ccc(OCC2CCC(C)O2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C13H17BF3O3.K/c1-9-3-4-11(20-9)8-19-13-6-5-10(18-2)7-12(13)14(15,16)17;/h5-7,9,11H,3-4,8H2,1-2H3;/q-1;+1
InChIKeyKSSQYVAWAYKHMV-UHFFFAOYSA-N
MW328.18 g/mol
LogP-0.30
Rot. Bonds5

About potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide (PubChem CID 103135604) has the molecular formula C13H17BF3KO3 and a molecular weight of 328.18 g/mol. Its IUPAC name is potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
PubChem CID103135604
Molecular FormulaC13H17BF3KO3
Molecular Weight328.18 g/mol
Exact Mass328.09
IUPAC Namepotassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
SMILESCOc1ccc(OCC2CCC(C)O2)c([B-](F)(F)F)c1.[K+]
InChIInChI=1S/C13H17BF3O3.K/c1-9-3-4-11(20-9)8-19-13-6-5-10(18-2)7-12(13)14(15,16)17;/h5-7,9,11H,3-4,8H2,1-2H3;/q-1;+1
InChIKeyKSSQYVAWAYKHMV-UHFFFAOYSA-N
XLogP-0.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103132673
potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135581
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
trifluoro-[5-methoxy-2-(2-methoxyethoxy)phenyl]boranuide
CID 104706273
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
potassium trifluoro-[5-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]boranuide
CID 104706284
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide (CID 103135604) is potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide is COc1ccc(OCC2CCC(C)O2)c([B-](F)(F)F)c1.[K+].
What is the InChIKey of potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
The InChIKey is KSSQYVAWAYKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BF3O3.K/c1-9-3-4-11(20-9)8-19-13-6-5-10(18-2)7-12(13)14(15,16)17;/h5-7,9,11H,3-4,8H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide?
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide has a molecular weight of 328.18 g/mol, XLogP of -0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide is sourced from PubChem (CID 103135604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).