(Z)-5-chloro-4-fluorohex-4-en-3-imine

C6H9ClFN — CID 123464385

IUPAC(Z)-5-chloro-4-fluorohex-4-en-3-imine
SMILES[H]/N=C(CC)/C(F)=C(\C)Cl
InChIInChI=1S/C6H9ClFN/c1-3-5(9)6(8)4(2)7/h9H,3H2,1-2H3/b6-4-,9-5+
InChIKeyWUABBJPXFFDSTE-QUNSIMLLSA-N
MW149.60 g/mol
LogP2.86
Rot. Bonds2

About (Z)-5-chloro-4-fluorohex-4-en-3-imine

(Z)-5-chloro-4-fluorohex-4-en-3-imine (PubChem CID 123464385) has the molecular formula C6H9ClFN and a molecular weight of 149.60 g/mol. Its IUPAC name is (Z)-5-chloro-4-fluorohex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-chloro-4-fluorohex-4-en-3-imine
PubChem CID123464385
Molecular FormulaC6H9ClFN
Molecular Weight149.60 g/mol
Exact Mass149.04
IUPAC Name(Z)-5-chloro-4-fluorohex-4-en-3-imine
SMILES[H]/N=C(CC)/C(F)=C(\C)Cl
InChIInChI=1S/C6H9ClFN/c1-3-5(9)6(8)4(2)7/h9H,3H2,1-2H3/b6-4-,9-5+
InChIKeyWUABBJPXFFDSTE-QUNSIMLLSA-N
XLogP2.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-5-chloro-4-fluorohex-4-en-3-imine?
The IUPAC name of (Z)-5-chloro-4-fluorohex-4-en-3-imine (CID 123464385) is (Z)-5-chloro-4-fluorohex-4-en-3-imine.
What is the SMILES notation for (Z)-5-chloro-4-fluorohex-4-en-3-imine?
The canonical SMILES for (Z)-5-chloro-4-fluorohex-4-en-3-imine is [H]/N=C(CC)/C(F)=C(\C)Cl.
What is the InChIKey of (Z)-5-chloro-4-fluorohex-4-en-3-imine?
The InChIKey is WUABBJPXFFDSTE-QUNSIMLLSA-N. The full InChI is InChI=1S/C6H9ClFN/c1-3-5(9)6(8)4(2)7/h9H,3H2,1-2H3/b6-4-,9-5+.
What are the key properties of (Z)-5-chloro-4-fluorohex-4-en-3-imine?
(Z)-5-chloro-4-fluorohex-4-en-3-imine has a molecular weight of 149.60 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-4-fluorohex-4-en-3-imine is sourced from PubChem (CID 123464385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).