N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine

C10H11ClFN — CID 58335513

IUPACN-(3-chloropropyl)-1-(3-fluorophenyl)methanimine
SMILESFc1cccc(/C=N/CCCCl)c1
InChIInChI=1S/C10H11ClFN/c11-5-2-6-13-8-9-3-1-4-10(12)7-9/h1,3-4,7-8H,2,5-6H2/b13-8+
InChIKeyCAZFWQRVXCKOEK-MDWZMJQESA-N
MW199.66 g/mol
LogP2.87
Rot. Bonds4

About N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine

N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine (PubChem CID 58335513) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloropropyl)-1-(3-fluorophenyl)methanimine
PubChem CID58335513
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC NameN-(3-chloropropyl)-1-(3-fluorophenyl)methanimine
SMILESFc1cccc(/C=N/CCCCl)c1
InChIInChI=1S/C10H11ClFN/c11-5-2-6-13-8-9-3-1-4-10(12)7-9/h1,3-4,7-8H,2,5-6H2/b13-8+
InChIKeyCAZFWQRVXCKOEK-MDWZMJQESA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine?
The IUPAC name of N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine (CID 58335513) is N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine.
What is the SMILES notation for N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine?
The canonical SMILES for N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine is Fc1cccc(/C=N/CCCCl)c1.
What is the InChIKey of N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine?
The InChIKey is CAZFWQRVXCKOEK-MDWZMJQESA-N. The full InChI is InChI=1S/C10H11ClFN/c11-5-2-6-13-8-9-3-1-4-10(12)7-9/h1,3-4,7-8H,2,5-6H2/b13-8+.
What are the key properties of N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine?
N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine has a molecular weight of 199.66 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-1-(3-fluorophenyl)methanimine is sourced from PubChem (CID 58335513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).