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

C11H20BF3KNO2 — CID 82017750

IUPACpotassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CCCCC1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3NO2.K/c1-11(2,3)18-10(17)16-9-7-5-4-6-8(9)12(13,14)15;/h8-9H,4-7H2,1-3H3,(H,16,17);/q-1;+1
InChIKeyJNCNAKFACNMJFI-UHFFFAOYSA-N
MW305.19 g/mol
LogP0.68
Rot. Bonds2

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

potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide (PubChem CID 82017750) has the molecular formula C11H20BF3KNO2 and a molecular weight of 305.19 g/mol. Its IUPAC name is potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
PubChem CID82017750
Molecular FormulaC11H20BF3KNO2
Molecular Weight305.19 g/mol
Exact Mass305.12
IUPAC Namepotassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CCCCC1[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3NO2.K/c1-11(2,3)18-10(17)16-9-7-5-4-6-8(9)12(13,14)15;/h8-9H,4-7H2,1-3H3,(H,16,17);/q-1;+1
InChIKeyJNCNAKFACNMJFI-UHFFFAOYSA-N
XLogP0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 50.68
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

trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide
CID 82017749
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
The IUPAC name of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide (CID 82017750) is potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide.
What is the SMILES notation for potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
The canonical SMILES for potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide is CC(C)(C)OC(=O)NC1CCCCC1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
The InChIKey is JNCNAKFACNMJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3NO2.K/c1-11(2,3)18-10(17)16-9-7-5-4-6-8(9)12(13,14)15;/h8-9H,4-7H2,1-3H3,(H,16,17);/q-1;+1.
What are the key properties of potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide?
potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide has a molecular weight of 305.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide is sourced from PubChem (CID 82017750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).