(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine

C6H9BrClN — CID 163639835

IUPAC(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine
SMILES[H]/N=C(/C=C\[C@H](C)Br)CCl
InChIInChI=1S/C6H9BrClN/c1-5(7)2-3-6(9)4-8/h2-3,5,9H,4H2,1H3/b3-2-,9-6-/t5-/m0/s1
InChIKeyIDHKSQDLZHUKQQ-ZCUUDUNBSA-N
MW210.50 g/mol
LogP2.58
Rot. Bonds3

About (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine

(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine (PubChem CID 163639835) has the molecular formula C6H9BrClN and a molecular weight of 210.50 g/mol. Its IUPAC name is (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine.

Molecular Properties

Compound Name(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine
PubChem CID163639835
Molecular FormulaC6H9BrClN
Molecular Weight210.50 g/mol
Exact Mass208.96
IUPAC Name(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine
SMILES[H]/N=C(/C=C\[C@H](C)Br)CCl
InChIInChI=1S/C6H9BrClN/c1-5(7)2-3-6(9)4-8/h2-3,5,9H,4H2,1H3/b3-2-,9-6-/t5-/m0/s1
InChIKeyIDHKSQDLZHUKQQ-ZCUUDUNBSA-N
XLogP2.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
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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Related Compounds

(Z)-1,5-dichlorohex-3-en-2-imine
CID 123172756

Frequently Asked Questions

What is the IUPAC name of (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine?
The IUPAC name of (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine (CID 163639835) is (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine.
What is the SMILES notation for (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine?
The canonical SMILES for (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine is [H]/N=C(/C=C\[C@H](C)Br)CCl.
What is the InChIKey of (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine?
The InChIKey is IDHKSQDLZHUKQQ-ZCUUDUNBSA-N. The full InChI is InChI=1S/C6H9BrClN/c1-5(7)2-3-6(9)4-8/h2-3,5,9H,4H2,1H3/b3-2-,9-6-/t5-/m0/s1.
What are the key properties of (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine?
(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine has a molecular weight of 210.50 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-5-bromo-1-chlorohex-3-en-2-imine is sourced from PubChem (CID 163639835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).