(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride

C5H6ClFN2 — CID 138494935

IUPAC(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(C)\C(Cl)=N\[H]
InChIInChI=1S/C5H6ClFN2/c1-3(5(6)9)2-4(7)8/h2,8-9H,1H3/b3-2-,8-4-,9-5-
InChIKeyIUMACAFMAGWHJL-QSKUQFQKSA-N
MW148.57 g/mol
LogP2.10
Rot. Bonds2

About (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride

(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride (PubChem CID 138494935) has the molecular formula C5H6ClFN2 and a molecular weight of 148.57 g/mol. Its IUPAC name is (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
PubChem CID138494935
Molecular FormulaC5H6ClFN2
Molecular Weight148.57 g/mol
Exact Mass148.02
IUPAC Name(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(C)\C(Cl)=N\[H]
InChIInChI=1S/C5H6ClFN2/c1-3(5(6)9)2-4(7)8/h2,8-9H,1H3/b3-2-,8-4-,9-5-
InChIKeyIUMACAFMAGWHJL-QSKUQFQKSA-N
XLogP2.10
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.57
LogP ≤ 52.10
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)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride?
The IUPAC name of (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride (CID 138494935) is (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride?
The canonical SMILES for (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride is [H]/N=C(F)/C=C(C)\C(Cl)=N\[H].
What is the InChIKey of (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride?
The InChIKey is IUMACAFMAGWHJL-QSKUQFQKSA-N. The full InChI is InChI=1S/C5H6ClFN2/c1-3(5(6)9)2-4(7)8/h2,8-9H,1H3/b3-2-,8-4-,9-5-.
What are the key properties of (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride?
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride has a molecular weight of 148.57 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 138494935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).