potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide

C11H13BF3KO2 — CID 63677667

IUPACpotassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCC2CCCO2)cc1.[K+]
InChIInChI=1S/C11H13BF3O2.K/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11;/h3-6,11H,1-2,7-8H2;/q-1;+1
InChIKeyGPVYTAZYDDVOCV-UHFFFAOYSA-N
MW284.13 g/mol
LogP-0.70
Rot. Bonds4

About potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide

potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide (PubChem CID 63677667) has the molecular formula C11H13BF3KO2 and a molecular weight of 284.13 g/mol. Its IUPAC name is potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
PubChem CID63677667
Molecular FormulaC11H13BF3KO2
Molecular Weight284.13 g/mol
Exact Mass284.06
IUPAC Namepotassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCC2CCCO2)cc1.[K+]
InChIInChI=1S/C11H13BF3O2.K/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11;/h3-6,11H,1-2,7-8H2;/q-1;+1
InChIKeyGPVYTAZYDDVOCV-UHFFFAOYSA-N
XLogP-0.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
CID 54799656
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide (CID 63677667) is potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide is F[B-](F)(F)c1ccc(OCC2CCCO2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide?
The InChIKey is GPVYTAZYDDVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3O2.K/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11;/h3-6,11H,1-2,7-8H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide?
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide has a molecular weight of 284.13 g/mol, XLogP of -0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide is sourced from PubChem (CID 63677667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).