ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide

C6H13FN2 — CID 143792674

IUPACethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide
SMILESC=CN(F)/C=N/C.CC
InChIInChI=1S/C4H7FN2.C2H6/c1-3-7(5)4-6-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-4+;
InChIKeyXPHPNLXTWUMZIN-CVDVRWGVSA-N
MW132.18 g/mol
LogP2.00
Rot. Bonds2

About ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide

ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide (PubChem CID 143792674) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide
PubChem CID143792674
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Nameethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide
SMILESC=CN(F)/C=N/C.CC
InChIInChI=1S/C4H7FN2.C2H6/c1-3-7(5)4-6-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-4+;
InChIKeyXPHPNLXTWUMZIN-CVDVRWGVSA-N
XLogP2.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.00
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide?
The IUPAC name of ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide (CID 143792674) is ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide.
What is the SMILES notation for ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide?
The canonical SMILES for ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide is C=CN(F)/C=N/C.CC.
What is the InChIKey of ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide?
The InChIKey is XPHPNLXTWUMZIN-CVDVRWGVSA-N. The full InChI is InChI=1S/C4H7FN2.C2H6/c1-3-7(5)4-6-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-4+;.
What are the key properties of ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide?
ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide has a molecular weight of 132.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N-fluoro-N'-methylmethanimidamide is sourced from PubChem (CID 143792674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).