(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride

C9H13ClF2N2 — CID 154539061

IUPAC(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
SMILESCNC(C)(C)/C=C(Cl)\C(F)=N\C=C\F
InChIInChI=1S/C9H13ClF2N2/c1-9(2,13-3)6-7(10)8(12)14-5-4-11/h4-6,13H,1-3H3/b5-4+,7-6+,14-8-
InChIKeyFMLIQEZPQRXQBL-ZKCPWZNQSA-N
MW222.67 g/mol
LogP2.92
Rot. Bonds4

About (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride

(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride (PubChem CID 154539061) has the molecular formula C9H13ClF2N2 and a molecular weight of 222.67 g/mol. Its IUPAC name is (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
PubChem CID154539061
Molecular FormulaC9H13ClF2N2
Molecular Weight222.67 g/mol
Exact Mass222.07
IUPAC Name(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
SMILESCNC(C)(C)/C=C(Cl)\C(F)=N\C=C\F
InChIInChI=1S/C9H13ClF2N2/c1-9(2,13-3)6-7(10)8(12)14-5-4-11/h4-6,13H,1-3H3/b5-4+,7-6+,14-8-
InChIKeyFMLIQEZPQRXQBL-ZKCPWZNQSA-N
XLogP2.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
CID 142233077
(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
CID 154539060
(E)-2-chloro-4-(ethylamino)-N-[(E)-2-fluoroethenyl]-4-methylpent-2-enimidoyl fluoride
CID 164015880

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
The IUPAC name of (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride (CID 154539061) is (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride.
What is the SMILES notation for (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
The canonical SMILES for (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride is CNC(C)(C)/C=C(Cl)\C(F)=N\C=C\F.
What is the InChIKey of (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
The InChIKey is FMLIQEZPQRXQBL-ZKCPWZNQSA-N. The full InChI is InChI=1S/C9H13ClF2N2/c1-9(2,13-3)6-7(10)8(12)14-5-4-11/h4-6,13H,1-3H3/b5-4+,7-6+,14-8-.
What are the key properties of (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride?
(E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride has a molecular weight of 222.67 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride is sourced from PubChem (CID 154539061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).