N'-(2-fluoroethyl)-N-methylideneethanimidamide

C5H9FN2 — CID 155020905

IUPACN'-(2-fluoroethyl)-N-methylideneethanimidamide
SMILESC=N/C(C)=N/CCF
InChIInChI=1S/C5H9FN2/c1-5(7-2)8-4-3-6/h2-4H2,1H3/b8-5+
InChIKeyFBUSTXBQJNNEQY-VMPITWQZSA-N
MW116.14 g/mol
LogP1.07
Rot. Bonds2

About N'-(2-fluoroethyl)-N-methylideneethanimidamide

N'-(2-fluoroethyl)-N-methylideneethanimidamide (PubChem CID 155020905) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is N'-(2-fluoroethyl)-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoroethyl)-N-methylideneethanimidamide
PubChem CID155020905
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC NameN'-(2-fluoroethyl)-N-methylideneethanimidamide
SMILESC=N/C(C)=N/CCF
InChIInChI=1S/C5H9FN2/c1-5(7-2)8-4-3-6/h2-4H2,1H3/b8-5+
InChIKeyFBUSTXBQJNNEQY-VMPITWQZSA-N
XLogP1.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
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'-(2-fluoroethyl)-N-methylideneethanimidamide?
The IUPAC name of N'-(2-fluoroethyl)-N-methylideneethanimidamide (CID 155020905) is N'-(2-fluoroethyl)-N-methylideneethanimidamide.
What is the SMILES notation for N'-(2-fluoroethyl)-N-methylideneethanimidamide?
The canonical SMILES for N'-(2-fluoroethyl)-N-methylideneethanimidamide is C=N/C(C)=N/CCF.
What is the InChIKey of N'-(2-fluoroethyl)-N-methylideneethanimidamide?
The InChIKey is FBUSTXBQJNNEQY-VMPITWQZSA-N. The full InChI is InChI=1S/C5H9FN2/c1-5(7-2)8-4-3-6/h2-4H2,1H3/b8-5+.
What are the key properties of N'-(2-fluoroethyl)-N-methylideneethanimidamide?
N'-(2-fluoroethyl)-N-methylideneethanimidamide has a molecular weight of 116.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroethyl)-N-methylideneethanimidamide is sourced from PubChem (CID 155020905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).