tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate

C12H19F2NO2 — CID 174271276

IUPACtert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC2C(C1)C2(F)F
InChIInChI=1S/C12H19F2NO2/c1-11(2,3)17-10(16)15(4)7-5-8-9(6-7)12(8,13)14/h7-9H,5-6H2,1-4H3
InChIKeyVETVSVBYIJUYCW-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate

tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate (PubChem CID 174271276) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
PubChem CID174271276
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Nametert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC2C(C1)C2(F)F
InChIInChI=1S/C12H19F2NO2/c1-11(2,3)17-10(16)15(4)7-5-8-9(6-7)12(8,13)14/h7-9H,5-6H2,1-4H3
InChIKeyVETVSVBYIJUYCW-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl N-(3,3-difluorocyclohexyl)-N-methylcarbamate
CID 154432366
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
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tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309
tert-butyl 3-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 67309978
tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
CID 54105856
tert-butyl (3R,4R)-3-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 124567000
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate (CID 174271276) is tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC2C(C1)C2(F)F.
What is the InChIKey of tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate?
The InChIKey is VETVSVBYIJUYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-11(2,3)17-10(16)15(4)7-5-8-9(6-7)12(8,13)14/h7-9H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate?
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate has a molecular weight of 247.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate is sourced from PubChem (CID 174271276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).