N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide

C6H9FN2 — CID 176964133

IUPACN'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide
SMILESC=C/N=C/N=C(\C)CF
InChIInChI=1S/C6H9FN2/c1-3-8-5-9-6(2)4-7/h3,5H,1,4H2,2H3/b8-5+,9-6+
InChIKeyPYTVXRANXNAHMR-XVYDYJIPSA-N
MW128.15 g/mol
LogP1.59
Rot. Bonds3

About N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide

N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide (PubChem CID 176964133) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide
PubChem CID176964133
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC NameN'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide
SMILESC=C/N=C/N=C(\C)CF
InChIInChI=1S/C6H9FN2/c1-3-8-5-9-6(2)4-7/h3,5H,1,4H2,2H3/b8-5+,9-6+
InChIKeyPYTVXRANXNAHMR-XVYDYJIPSA-N
XLogP1.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.59
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'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide?
The IUPAC name of N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide (CID 176964133) is N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide.
What is the SMILES notation for N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide?
The canonical SMILES for N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide is C=C/N=C/N=C(\C)CF.
What is the InChIKey of N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide?
The InChIKey is PYTVXRANXNAHMR-XVYDYJIPSA-N. The full InChI is InChI=1S/C6H9FN2/c1-3-8-5-9-6(2)4-7/h3,5H,1,4H2,2H3/b8-5+,9-6+.
What are the key properties of N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide?
N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide has a molecular weight of 128.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide is sourced from PubChem (CID 176964133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).