tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate

C11H17F2NO2 — CID 167720360

IUPACtert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC(C)(C1)C2(F)F
InChIInChI=1S/C11H17F2NO2/c1-8(2,3)16-7(15)14-10-5-9(4,6-10)11(10,12)13/h5-6H2,1-4H3,(H,14,15)
InChIKeyVMCQOCWODOLTKK-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate

tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 167720360) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID167720360
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Nametert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC(C)(C1)C2(F)F
InChIInChI=1S/C11H17F2NO2/c1-8(2,3)16-7(15)14-10-5-9(4,6-10)11(10,12)13/h5-6H2,1-4H3,(H,14,15)
InChIKeyVMCQOCWODOLTKK-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 167732083
tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
CID 15421754
tert-butyl N-[(3aR,6aS)-3a-fluoro-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6a-yl]carbamate;hydrochloride
CID 146155252
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
sodium 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 118957644
tert-butyl N-[3,3-difluoro-1-(methylaminomethyl)cyclobutyl]carbamate
CID 151052827
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
CID 169494715
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
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tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate (CID 167720360) is tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate is CC(C)(C)OC(=O)NC12CC(C)(C1)C2(F)F.
What is the InChIKey of tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is VMCQOCWODOLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-8(2,3)16-7(15)14-10-5-9(4,6-10)11(10,12)13/h5-6H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate?
tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 233.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 167720360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).