N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline

C13H11F5N2 — CID 9466459

IUPACN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(N/N=C\[C@@H]2CC=CCC2)c(F)c1F
InChIInChI=1S/C13H11F5N2/c14-8-9(15)11(17)13(12(18)10(8)16)20-19-6-7-4-2-1-3-5-7/h1-2,6-7,20H,3-5H2/b19-6-/t7-/m1/s1
InChIKeyWXXZWJINZHQNGQ-AOGVAULPSA-N
MW290.24 g/mol
LogP4.14
Rot. Bonds3

About N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline (PubChem CID 9466459) has the molecular formula C13H11F5N2 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
PubChem CID9466459
Molecular FormulaC13H11F5N2
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline
SMILESFc1c(F)c(F)c(N/N=C\[C@@H]2CC=CCC2)c(F)c1F
InChIInChI=1S/C13H11F5N2/c14-8-9(15)11(17)13(12(18)10(8)16)20-19-6-7-4-2-1-3-5-7/h1-2,6-7,20H,3-5H2/b19-6-/t7-/m1/s1
InChIKeyWXXZWJINZHQNGQ-AOGVAULPSA-N
XLogP4.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline (CID 9466459) is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is Fc1c(F)c(F)c(N/N=C\[C@@H]2CC=CCC2)c(F)c1F.
What is the InChIKey of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is WXXZWJINZHQNGQ-AOGVAULPSA-N. The full InChI is InChI=1S/C13H11F5N2/c14-8-9(15)11(17)13(12(18)10(8)16)20-19-6-7-4-2-1-3-5-7/h1-2,6-7,20H,3-5H2/b19-6-/t7-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline?
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 290.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 9466459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).