N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide

C11H13FN2O — CID 170700899

IUPACN-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide
SMILESO=C(NCCNF)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C11H13FN2O/c12-14-9-8-13-11(15)10-6-4-2-1-3-5-7-10/h1-7,14H,8-9H2,(H,13,15)/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,10-6+,10-7+
InChIKeyWMLUZMZFVIGRLD-FAJRBDMCSA-N
MW208.24 g/mol
LogP1.19
Rot. Bonds4

About N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide

N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide (PubChem CID 170700899) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide.

Molecular Properties

Compound NameN-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide
PubChem CID170700899
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide
SMILESO=C(NCCNF)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C11H13FN2O/c12-14-9-8-13-11(15)10-6-4-2-1-3-5-7-10/h1-7,14H,8-9H2,(H,13,15)/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,10-6+,10-7+
InChIKeyWMLUZMZFVIGRLD-FAJRBDMCSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide 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-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide?
The IUPAC name of N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide (CID 170700899) is N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide.
What is the SMILES notation for N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide?
The canonical SMILES for N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide is O=C(NCCNF)C1=C/C=C\C=C/C=C\1.
What is the InChIKey of N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide?
The InChIKey is WMLUZMZFVIGRLD-FAJRBDMCSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-14-9-8-13-11(15)10-6-4-2-1-3-5-7-10/h1-7,14H,8-9H2,(H,13,15)/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,10-6+,10-7+.
What are the key properties of N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide?
N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide is sourced from PubChem (CID 170700899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).