(2Z)-2-(aminomethylidene)butanimidoyl fluoride

C5H9FN2 — CID 146392689

IUPAC(2Z)-2-(aminomethylidene)butanimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\N)CC
InChIInChI=1S/C5H9FN2/c1-2-4(3-7)5(6)8/h3,8H,2,7H2,1H3/b4-3-,8-5-
InChIKeyBMBMURNIVZPTSV-UBNNFMAXSA-N
MW116.14 g/mol
LogP1.19
Rot. Bonds2

About (2Z)-2-(aminomethylidene)butanimidoyl fluoride

(2Z)-2-(aminomethylidene)butanimidoyl fluoride (PubChem CID 146392689) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)butanimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)butanimidoyl fluoride
PubChem CID146392689
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(2Z)-2-(aminomethylidene)butanimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\N)CC
InChIInChI=1S/C5H9FN2/c1-2-4(3-7)5(6)8/h3,8H,2,7H2,1H3/b4-3-,8-5-
InChIKeyBMBMURNIVZPTSV-UBNNFMAXSA-N
XLogP1.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.19
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 (2Z)-2-(aminomethylidene)butanimidoyl fluoride?
The IUPAC name of (2Z)-2-(aminomethylidene)butanimidoyl fluoride (CID 146392689) is (2Z)-2-(aminomethylidene)butanimidoyl fluoride.
What is the SMILES notation for (2Z)-2-(aminomethylidene)butanimidoyl fluoride?
The canonical SMILES for (2Z)-2-(aminomethylidene)butanimidoyl fluoride is [H]/N=C(F)/C(=C\N)CC.
What is the InChIKey of (2Z)-2-(aminomethylidene)butanimidoyl fluoride?
The InChIKey is BMBMURNIVZPTSV-UBNNFMAXSA-N. The full InChI is InChI=1S/C5H9FN2/c1-2-4(3-7)5(6)8/h3,8H,2,7H2,1H3/b4-3-,8-5-.
What are the key properties of (2Z)-2-(aminomethylidene)butanimidoyl fluoride?
(2Z)-2-(aminomethylidene)butanimidoyl fluoride has a molecular weight of 116.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)butanimidoyl fluoride is sourced from PubChem (CID 146392689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).