N'-[(ethenylamino)methyl]-N-fluoromethanimidamide

C4H8FN3 — CID 163503291

IUPACN'-[(ethenylamino)methyl]-N-fluoromethanimidamide
SMILESC=CNCN=CNF
InChIInChI=1S/C4H8FN3/c1-2-6-3-7-4-8-5/h2,4,6H,1,3H2,(H,7,8)
InChIKeyCWOJZANLMWMBMU-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.18
Rot. Bonds4

About N'-[(ethenylamino)methyl]-N-fluoromethanimidamide

N'-[(ethenylamino)methyl]-N-fluoromethanimidamide (PubChem CID 163503291) has the molecular formula C4H8FN3 and a molecular weight of 117.13 g/mol. Its IUPAC name is N'-[(ethenylamino)methyl]-N-fluoromethanimidamide.

Molecular Properties

Compound NameN'-[(ethenylamino)methyl]-N-fluoromethanimidamide
PubChem CID163503291
Molecular FormulaC4H8FN3
Molecular Weight117.13 g/mol
Exact Mass117.07
IUPAC NameN'-[(ethenylamino)methyl]-N-fluoromethanimidamide
SMILESC=CNCN=CNF
InChIInChI=1S/C4H8FN3/c1-2-6-3-7-4-8-5/h2,4,6H,1,3H2,(H,7,8)
InChIKeyCWOJZANLMWMBMU-UHFFFAOYSA-N
XLogP0.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(ethenylamino)methyl]-N-fluoromethanimidamide?
The IUPAC name of N'-[(ethenylamino)methyl]-N-fluoromethanimidamide (CID 163503291) is N'-[(ethenylamino)methyl]-N-fluoromethanimidamide.
What is the SMILES notation for N'-[(ethenylamino)methyl]-N-fluoromethanimidamide?
The canonical SMILES for N'-[(ethenylamino)methyl]-N-fluoromethanimidamide is C=CNCN=CNF.
What is the InChIKey of N'-[(ethenylamino)methyl]-N-fluoromethanimidamide?
The InChIKey is CWOJZANLMWMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3/c1-2-6-3-7-4-8-5/h2,4,6H,1,3H2,(H,7,8).
What are the key properties of N'-[(ethenylamino)methyl]-N-fluoromethanimidamide?
N'-[(ethenylamino)methyl]-N-fluoromethanimidamide has a molecular weight of 117.13 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(ethenylamino)methyl]-N-fluoromethanimidamide is sourced from PubChem (CID 163503291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).