trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide

C10H18BF3NO2- — CID 82017749

IUPACtrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CCCC1[B-](F)(F)F
InChIInChI=1S/C10H18BF3NO2/c1-10(2,3)17-9(16)15-8-6-4-5-7(8)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/q-1
InChIKeyPTWQCBAQYQGULD-UHFFFAOYSA-N
MW252.06 g/mol
LogP3.28
Rot. Bonds2

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

trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide (PubChem CID 82017749) has the molecular formula C10H18BF3NO2- and a molecular weight of 252.06 g/mol. Its IUPAC name is trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide
PubChem CID82017749
Molecular FormulaC10H18BF3NO2-
Molecular Weight252.06 g/mol
Exact Mass252.14
IUPAC Nametrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide
SMILESCC(C)(C)OC(=O)NC1CCCC1[B-](F)(F)F
InChIInChI=1S/C10H18BF3NO2/c1-10(2,3)17-9(16)15-8-6-4-5-7(8)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/q-1
InChIKeyPTWQCBAQYQGULD-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 53.28
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

potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
CID 82017750
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide?
The IUPAC name of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide (CID 82017749) is trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide.
What is the SMILES notation for trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide?
The canonical SMILES for trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide is CC(C)(C)OC(=O)NC1CCCC1[B-](F)(F)F.
What is the InChIKey of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide?
The InChIKey is PTWQCBAQYQGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO2/c1-10(2,3)17-9(16)15-8-6-4-5-7(8)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/q-1.
What are the key properties of trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide?
trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide has a molecular weight of 252.06 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]boranuide is sourced from PubChem (CID 82017749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).