N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide

C11H11FN2 — CID 142149444

IUPACN'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide
SMILESC=C/N=C(\N)CC1=CC(F)=CC=C=C1
InChIInChI=1S/C11H11FN2/c1-2-14-11(13)8-9-5-3-4-6-10(12)7-9/h2,4-7H,1,8H2,(H2,13,14)
InChIKeyMKVQFPAWZHHEOE-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.38
Rot. Bonds3

About N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide

N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide (PubChem CID 142149444) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide
PubChem CID142149444
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC NameN'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide
SMILESC=C/N=C(\N)CC1=CC(F)=CC=C=C1
InChIInChI=1S/C11H11FN2/c1-2-14-11(13)8-9-5-3-4-6-10(12)7-9/h2,4-7H,1,8H2,(H2,13,14)
InChIKeyMKVQFPAWZHHEOE-UHFFFAOYSA-N
XLogP2.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide?
The IUPAC name of N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide (CID 142149444) is N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide.
What is the SMILES notation for N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide?
The canonical SMILES for N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide is C=C/N=C(\N)CC1=CC(F)=CC=C=C1.
What is the InChIKey of N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide?
The InChIKey is MKVQFPAWZHHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-2-14-11(13)8-9-5-3-4-6-10(12)7-9/h2,4-7H,1,8H2,(H2,13,14).
What are the key properties of N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide?
N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide has a molecular weight of 190.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide is sourced from PubChem (CID 142149444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).