tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate

C14H26F2N2O2 — CID 123730240

IUPACtert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate
SMILESCNC1C(CCNC(=O)OC(C)(C)C)CCCC1(F)F
InChIInChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)18-9-7-10-6-5-8-14(15,16)11(10)17-4/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyZUHZLYROQRUNBG-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate

tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate (PubChem CID 123730240) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate
PubChem CID123730240
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nametert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate
SMILESCNC1C(CCNC(=O)OC(C)(C)C)CCCC1(F)F
InChIInChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)18-9-7-10-6-5-8-14(15,16)11(10)17-4/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyZUHZLYROQRUNBG-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate (CID 123730240) is tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate is CNC1C(CCNC(=O)OC(C)(C)C)CCCC1(F)F.
What is the InChIKey of tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate?
The InChIKey is ZUHZLYROQRUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)18-9-7-10-6-5-8-14(15,16)11(10)17-4/h10-11,17H,5-9H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate?
tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate has a molecular weight of 292.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate is sourced from PubChem (CID 123730240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).