tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate

C13H24F2N2O2 — CID 123816391

IUPACtert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate
SMILESCNC1CCCC(F)(F)C1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24F2N2O2/c1-12(2,3)19-11(18)17(5)10-9(16-4)7-6-8-13(10,14)15/h9-10,16H,6-8H2,1-5H3
InChIKeyOQODDOWQZZJLPJ-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate

tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate (PubChem CID 123816391) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate
PubChem CID123816391
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Nametert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate
SMILESCNC1CCCC(F)(F)C1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24F2N2O2/c1-12(2,3)19-11(18)17(5)10-9(16-4)7-6-8-13(10,14)15/h9-10,16H,6-8H2,1-5H3
InChIKeyOQODDOWQZZJLPJ-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3,3-difluorocyclohexyl)-N-methylcarbamate
CID 154432366
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276
tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate;(3R,4S)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 161323659
tert-butyl N-[(1S,2S)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)-methylamino]-3,3-difluorocyclohexyl]-N-methylcarbamate
CID 129192478
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate
CID 141044538
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-[(1S,2S)-2-azido-3,3-difluorocyclohexyl]carbamate
CID 123311477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate (CID 123816391) is tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate is CNC1CCCC(F)(F)C1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate?
The InChIKey is OQODDOWQZZJLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-12(2,3)19-11(18)17(5)10-9(16-4)7-6-8-13(10,14)15/h9-10,16H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate?
tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate has a molecular weight of 278.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-6-(methylamino)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 123816391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).