N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide

C9H16FN3 — CID 167244290

IUPACN-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide
SMILESC/N=C(\C)NCC/N=C/C=C\CF
InChIInChI=1S/C9H16FN3/c1-9(11-2)13-8-7-12-6-4-3-5-10/h3-4,6H,5,7-8H2,1-2H3,(H,11,13)/b4-3-,12-6+
InChIKeyPNCZLTJHCRVQLF-PRIXUFLXSA-N
MW185.25 g/mol
LogP1.22
Rot. Bonds5

About N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide

N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide (PubChem CID 167244290) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide
PubChem CID167244290
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC NameN-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide
SMILESC/N=C(\C)NCC/N=C/C=C\CF
InChIInChI=1S/C9H16FN3/c1-9(11-2)13-8-7-12-6-4-3-5-10/h3-4,6H,5,7-8H2,1-2H3,(H,11,13)/b4-3-,12-6+
InChIKeyPNCZLTJHCRVQLF-PRIXUFLXSA-N
XLogP1.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide?
The IUPAC name of N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide (CID 167244290) is N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide?
The canonical SMILES for N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide is C/N=C(\C)NCC/N=C/C=C\CF.
What is the InChIKey of N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide?
The InChIKey is PNCZLTJHCRVQLF-PRIXUFLXSA-N. The full InChI is InChI=1S/C9H16FN3/c1-9(11-2)13-8-7-12-6-4-3-5-10/h3-4,6H,5,7-8H2,1-2H3,(H,11,13)/b4-3-,12-6+.
What are the key properties of N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide?
N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide has a molecular weight of 185.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-4-fluorobut-2-enylidene]amino]ethyl]-N'-methylethanimidamide is sourced from PubChem (CID 167244290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).