N-butyl-1-(2-chloro-6-fluorophenyl)methanimine

C11H13ClFN — CID 11138446

IUPACN-butyl-1-(2-chloro-6-fluorophenyl)methanimine
SMILESCCCC/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-2-3-7-14-8-9-10(12)5-4-6-11(9)13/h4-6,8H,2-3,7H2,1H3/b14-8+
InChIKeyGHSRWLBYKQPZRL-RIYZIHGNSA-N
MW213.68 g/mol
LogP3.70
Rot. Bonds4

About N-butyl-1-(2-chloro-6-fluorophenyl)methanimine

N-butyl-1-(2-chloro-6-fluorophenyl)methanimine (PubChem CID 11138446) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is N-butyl-1-(2-chloro-6-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(2-chloro-6-fluorophenyl)methanimine
PubChem CID11138446
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC NameN-butyl-1-(2-chloro-6-fluorophenyl)methanimine
SMILESCCCC/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-2-3-7-14-8-9-10(12)5-4-6-11(9)13/h4-6,8H,2-3,7H2,1H3/b14-8+
InChIKeyGHSRWLBYKQPZRL-RIYZIHGNSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
2-Chloro-6-fluorobenzaldehyde oxime
CID 7329318
1-(4-chlorophenyl)-N-methylmethanimine oxide
CID 6369182
(E)-2-chloro-6-fluorobenzaldehyde oxime
CID 5708393
p-Chlorobenzylidene-butyl-amine
CID 300876
N-[(2-chloro-4-fluorophenyl)methylidene]hydroxylamine
CID 24721362
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
CID 2732892
N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 11206679
N-butyl-1-(2-fluorophenyl)methanimine
CID 14971156
4-Fluorobenzylidene-butyl-amine
CID 14971157
(2-Chloro-6-fluorophenyl)methanimine
CID 53675422
Benzaldehyde, o-chloro-, O-methyloxime
CID 9603415

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-chloro-6-fluorophenyl)methanimine?
The IUPAC name of N-butyl-1-(2-chloro-6-fluorophenyl)methanimine (CID 11138446) is N-butyl-1-(2-chloro-6-fluorophenyl)methanimine.
What is the SMILES notation for N-butyl-1-(2-chloro-6-fluorophenyl)methanimine?
The canonical SMILES for N-butyl-1-(2-chloro-6-fluorophenyl)methanimine is CCCC/N=C/c1c(F)cccc1Cl.
What is the InChIKey of N-butyl-1-(2-chloro-6-fluorophenyl)methanimine?
The InChIKey is GHSRWLBYKQPZRL-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-2-3-7-14-8-9-10(12)5-4-6-11(9)13/h4-6,8H,2-3,7H2,1H3/b14-8+.
What are the key properties of N-butyl-1-(2-chloro-6-fluorophenyl)methanimine?
N-butyl-1-(2-chloro-6-fluorophenyl)methanimine has a molecular weight of 213.68 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-chloro-6-fluorophenyl)methanimine is sourced from PubChem (CID 11138446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).