tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate

C15H28F2N2O3 — CID 103082623

IUPACtert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-12-6-4-11(5-7-12)18-8-9-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyJAFMEGNAJLZFAL-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.69
Rot. Bonds7

About tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate

tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate (PubChem CID 103082623) has the molecular formula C15H28F2N2O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
PubChem CID103082623
Molecular FormulaC15H28F2N2O3
Molecular Weight322.40 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-12-6-4-11(5-7-12)18-8-9-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyJAFMEGNAJLZFAL-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate (CID 103082623) is tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCCOCC(F)F)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?
The InChIKey is JAFMEGNAJLZFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-12-6-4-11(5-7-12)18-8-9-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103082623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).