N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide

C10H10FN3 — CID 123711452

IUPACN'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide
SMILESCC(/N=C/N)c1ccc(C#N)cc1F
InChIInChI=1S/C10H10FN3/c1-7(14-6-13)9-3-2-8(5-12)4-10(9)11/h2-4,6-7H,1H3,(H2,13,14)
InChIKeyWXDJRZBAGUWDRW-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.75
Rot. Bonds2

About N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide

N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide (PubChem CID 123711452) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide.

Molecular Properties

Compound NameN'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide
PubChem CID123711452
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC NameN'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide
SMILESCC(/N=C/N)c1ccc(C#N)cc1F
InChIInChI=1S/C10H10FN3/c1-7(14-6-13)9-3-2-8(5-12)4-10(9)11/h2-4,6-7H,1H3,(H2,13,14)
InChIKeyWXDJRZBAGUWDRW-UHFFFAOYSA-N
XLogP1.75
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide?
The IUPAC name of N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide (CID 123711452) is N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide.
What is the SMILES notation for N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide?
The canonical SMILES for N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide is CC(/N=C/N)c1ccc(C#N)cc1F.
What is the InChIKey of N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide?
The InChIKey is WXDJRZBAGUWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7(14-6-13)9-3-2-8(5-12)4-10(9)11/h2-4,6-7H,1H3,(H2,13,14).
What are the key properties of N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide?
N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide has a molecular weight of 191.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-cyano-2-fluorophenyl)ethyl]methanimidamide is sourced from PubChem (CID 123711452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).