(Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine

C13H15ClFN — CID 145107727

IUPAC(Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine
SMILESCC/C=C\C(=N/C)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFN/c1-3-4-5-12(16-2)13(14)10-6-8-11(15)9-7-10/h4-9,13H,3H2,1-2H3/b5-4-,16-12+
InChIKeyNAWVQGOHOISWLX-QDWCAQTDSA-N
MW239.72 g/mol
LogP4.14
Rot. Bonds4

About (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine

(Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine (PubChem CID 145107727) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine
PubChem CID145107727
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name(Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine
SMILESCC/C=C\C(=N/C)C(Cl)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFN/c1-3-4-5-12(16-2)13(14)10-6-8-11(15)9-7-10/h4-9,13H,3H2,1-2H3/b5-4-,16-12+
InChIKeyNAWVQGOHOISWLX-QDWCAQTDSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine?
The IUPAC name of (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine (CID 145107727) is (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine.
What is the SMILES notation for (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine?
The canonical SMILES for (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine is CC/C=C\C(=N/C)C(Cl)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine?
The InChIKey is NAWVQGOHOISWLX-QDWCAQTDSA-N. The full InChI is InChI=1S/C13H15ClFN/c1-3-4-5-12(16-2)13(14)10-6-8-11(15)9-7-10/h4-9,13H,3H2,1-2H3/b5-4-,16-12+.
What are the key properties of (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine?
(Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine has a molecular weight of 239.72 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1-(4-fluorophenyl)-N-methylhex-3-en-2-imine is sourced from PubChem (CID 145107727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).