potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide

C10H13BF3KO — CID 63705472

IUPACpotassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide
SMILESCc1cc(C)c(OC[B-](F)(F)F)c(C)c1.[K+]
InChIInChI=1S/C10H13BF3O.K/c1-7-4-8(2)10(9(3)5-7)15-6-11(12,13)14;/h4-5H,6H2,1-3H3;/q-1;+1
InChIKeyQVRDVCOLZKZEOK-UHFFFAOYSA-N
MW256.12 g/mol
LogP0.38
Rot. Bonds3

About potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide

potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide (PubChem CID 63705472) has the molecular formula C10H13BF3KO and a molecular weight of 256.12 g/mol. Its IUPAC name is potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide
PubChem CID63705472
Molecular FormulaC10H13BF3KO
Molecular Weight256.12 g/mol
Exact Mass256.06
IUPAC Namepotassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide
SMILESCc1cc(C)c(OC[B-](F)(F)F)c(C)c1.[K+]
InChIInChI=1S/C10H13BF3O.K/c1-7-4-8(2)10(9(3)5-7)15-6-11(12,13)14;/h4-5H,6H2,1-3H3;/q-1;+1
InChIKeyQVRDVCOLZKZEOK-UHFFFAOYSA-N
XLogP0.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 50.38
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 (4-cyano-2,6-dimethylphenoxy)methyl-trifluoroboranuide
CID 65470810
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
trifluoro-[(2,4,6-trimethylphenyl)methyl]boranuide
CID 63701991
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
CID 103366783
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide (CID 63705472) is potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide is Cc1cc(C)c(OC[B-](F)(F)F)c(C)c1.[K+].
What is the InChIKey of potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide?
The InChIKey is QVRDVCOLZKZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BF3O.K/c1-7-4-8(2)10(9(3)5-7)15-6-11(12,13)14;/h4-5H,6H2,1-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide?
potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide has a molecular weight of 256.12 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(2,4,6-trimethylphenoxy)methyl]boranuide is sourced from PubChem (CID 63705472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).