2-fluoro-N'-methylethanimidamide

C3H7FN2 — CID 18727673

IUPAC2-fluoro-N'-methylethanimidamide
SMILESC/N=C(/N)CF
InChIInChI=1S/C3H7FN2/c1-6-3(5)2-4/h2H2,1H3,(H2,5,6)
InChIKeyJOCISEYCNIRMLH-UHFFFAOYSA-N
MW90.10 g/mol
LogP-0.06
Rot. Bonds1

About 2-fluoro-N'-methylethanimidamide

2-fluoro-N'-methylethanimidamide (PubChem CID 18727673) has the molecular formula C3H7FN2 and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-fluoro-N'-methylethanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-methylethanimidamide
PubChem CID18727673
Molecular FormulaC3H7FN2
Molecular Weight90.10 g/mol
Exact Mass90.06
IUPAC Name2-fluoro-N'-methylethanimidamide
SMILESC/N=C(/N)CF
InChIInChI=1S/C3H7FN2/c1-6-3(5)2-4/h2H2,1H3,(H2,5,6)
InChIKeyJOCISEYCNIRMLH-UHFFFAOYSA-N
XLogP-0.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 5-0.06
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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Related Compounds

2-fluoro-N-propylacetamidine
CID 54758326
N'-methyl-acetamidine
CID 13734708
N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 57927281
N'-(2-fluoroethyl)ethanimidamide
CID 57927690
N-(1-aminoethylidene)-2-fluoroethanimidamide
CID 59660942
N'-ethyl-2-fluoroethanimidamide
CID 76473588
2-fluoro-N'-methylpropanimidamide
CID 91141479
N'-(3-fluoropropyl)ethanimidamide
CID 91405114
N-ethanimidoylmethanimidoyl fluoride
CID 123159714
N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride
CID 123707874
N'-(trifluoromethyl)ethanimidamide
CID 146694964
N-(1-aminoethylidene)carbamimidoyl fluoride
CID 153169428

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-methylethanimidamide?
The IUPAC name of 2-fluoro-N'-methylethanimidamide (CID 18727673) is 2-fluoro-N'-methylethanimidamide.
What is the SMILES notation for 2-fluoro-N'-methylethanimidamide?
The canonical SMILES for 2-fluoro-N'-methylethanimidamide is C/N=C(/N)CF.
What is the InChIKey of 2-fluoro-N'-methylethanimidamide?
The InChIKey is JOCISEYCNIRMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FN2/c1-6-3(5)2-4/h2H2,1H3,(H2,5,6).
What are the key properties of 2-fluoro-N'-methylethanimidamide?
2-fluoro-N'-methylethanimidamide has a molecular weight of 90.10 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methylethanimidamide is sourced from PubChem (CID 18727673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).