3-imino-N-methylpentanimidoyl fluoride

C6H11FN2 — CID 123617115

IUPAC3-imino-N-methylpentanimidoyl fluoride
SMILES[H]/N=C(\CC)C/C(F)=N/C
InChIInChI=1S/C6H11FN2/c1-3-5(8)4-6(7)9-2/h8H,3-4H2,1-2H3/b8-5+,9-6-
InChIKeyYAJAVKIUPIKCHE-OWNHSFIXSA-N
MW130.17 g/mol
LogP1.80
Rot. Bonds3

About 3-imino-N-methylpentanimidoyl fluoride

3-imino-N-methylpentanimidoyl fluoride (PubChem CID 123617115) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-imino-N-methylpentanimidoyl fluoride.

Molecular Properties

Compound Name3-imino-N-methylpentanimidoyl fluoride
PubChem CID123617115
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-imino-N-methylpentanimidoyl fluoride
SMILES[H]/N=C(\CC)C/C(F)=N/C
InChIInChI=1S/C6H11FN2/c1-3-5(8)4-6(7)9-2/h8H,3-4H2,1-2H3/b8-5+,9-6-
InChIKeyYAJAVKIUPIKCHE-OWNHSFIXSA-N
XLogP1.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methylpentanimidoyl fluoride?
The IUPAC name of 3-imino-N-methylpentanimidoyl fluoride (CID 123617115) is 3-imino-N-methylpentanimidoyl fluoride.
What is the SMILES notation for 3-imino-N-methylpentanimidoyl fluoride?
The canonical SMILES for 3-imino-N-methylpentanimidoyl fluoride is [H]/N=C(\CC)C/C(F)=N/C.
What is the InChIKey of 3-imino-N-methylpentanimidoyl fluoride?
The InChIKey is YAJAVKIUPIKCHE-OWNHSFIXSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-5(8)4-6(7)9-2/h8H,3-4H2,1-2H3/b8-5+,9-6-.
What are the key properties of 3-imino-N-methylpentanimidoyl fluoride?
3-imino-N-methylpentanimidoyl fluoride has a molecular weight of 130.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methylpentanimidoyl fluoride is sourced from PubChem (CID 123617115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).