tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate

C13H16F2N2O2 — CID 9074784

IUPACtert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O2/c1-8(10-7-9(14)5-6-11(10)15)16-17-12(18)19-13(2,3)4/h5-7H,1-4H3,(H,17,18)/b16-8-
InChIKeyJYLBCULHMNDXPP-PXNMLYILSA-N
MW270.28 g/mol
LogP3.21
Rot. Bonds2

About tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate

tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate (PubChem CID 9074784) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
PubChem CID9074784
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nametert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O2/c1-8(10-7-9(14)5-6-11(10)15)16-17-12(18)19-13(2,3)4/h5-7H,1-4H3,(H,17,18)/b16-8-
InChIKeyJYLBCULHMNDXPP-PXNMLYILSA-N
XLogP3.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
CID 9359015
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013664
tert-butyl N-[(Z)-[amino-(3-chloro-4-fluorophenyl)methylidene]amino]carbamate
CID 50998939
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 9016019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate (CID 9074784) is tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate is C/C(=N/NC(=O)OC(C)(C)C)c1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate?
The InChIKey is JYLBCULHMNDXPP-PXNMLYILSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8(10-7-9(14)5-6-11(10)15)16-17-12(18)19-13(2,3)4/h5-7H,1-4H3,(H,17,18)/b16-8-.
What are the key properties of tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate?
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate has a molecular weight of 270.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 9074784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).