potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide

C11H14BF3KNO2 — CID 74787607

IUPACpotassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
SMILESCC(C)(C)OC(=O)Nc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C11H14BF3NO2.K/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15;/h4-7H,1-3H3,(H,16,17);/q-1;+1
InChIKeyYLSVHRQNDAWMMN-UHFFFAOYSA-N
MW299.14 g/mol
LogP0.09
Rot. Bonds2

About potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide

potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide (PubChem CID 74787607) has the molecular formula C11H14BF3KNO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
PubChem CID74787607
Molecular FormulaC11H14BF3KNO2
Molecular Weight299.14 g/mol
Exact Mass299.07
IUPAC Namepotassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
SMILESCC(C)(C)OC(=O)Nc1ccc([B-](F)(F)F)cc1.[K+]
InChIInChI=1S/C11H14BF3NO2.K/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15;/h4-7H,1-3H3,(H,16,17);/q-1;+1
InChIKeyYLSVHRQNDAWMMN-UHFFFAOYSA-N
XLogP0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
trifluoro-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 86810523
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide (CID 74787607) is potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide is CC(C)(C)OC(=O)Nc1ccc([B-](F)(F)F)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide?
The InChIKey is YLSVHRQNDAWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BF3NO2.K/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15;/h4-7H,1-3H3,(H,16,17);/q-1;+1.
What are the key properties of potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide?
potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide has a molecular weight of 299.14 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide is sourced from PubChem (CID 74787607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).