(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride

C7H11FN2 — CID 146392589

IUPAC(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(\C=N\[H])C(C)C
InChIInChI=1S/C7H11FN2/c1-5(2)6(4-9)3-7(8)10/h3-5,9-10H,1-2H3/b6-3+,9-4+,10-7-
InChIKeyCFMVMLAZAAVAMZ-CBXRFNTASA-N
MW142.18 g/mol
LogP2.17
Rot. Bonds3

About (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride

(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride (PubChem CID 146392589) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride
PubChem CID146392589
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(\C=N\[H])C(C)C
InChIInChI=1S/C7H11FN2/c1-5(2)6(4-9)3-7(8)10/h3-5,9-10H,1-2H3/b6-3+,9-4+,10-7-
InChIKeyCFMVMLAZAAVAMZ-CBXRFNTASA-N
XLogP2.17
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
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 (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride (CID 146392589) is (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride is [H]/N=C(F)/C=C(\C=N\[H])C(C)C.
What is the InChIKey of (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride?
The InChIKey is CFMVMLAZAAVAMZ-CBXRFNTASA-N. The full InChI is InChI=1S/C7H11FN2/c1-5(2)6(4-9)3-7(8)10/h3-5,9-10H,1-2H3/b6-3+,9-4+,10-7-.
What are the key properties of (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride?
(Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride has a molecular weight of 142.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methanimidoyl-4-methylpent-2-enimidoyl fluoride is sourced from PubChem (CID 146392589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).