(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine

C9H9ClFNO — CID 23499565

IUPAC(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/OCCCl)cc1
InChIInChI=1S/C9H9ClFNO/c10-5-6-13-12-7-8-1-3-9(11)4-2-8/h1-4,7H,5-6H2/b12-7+
InChIKeyAIXJJHLKLRCOLC-KPKJPENVSA-N
MW201.63 g/mol
LogP2.41
Rot. Bonds4

About (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine

(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine (PubChem CID 23499565) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine
PubChem CID23499565
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N/OCCCl)cc1
InChIInChI=1S/C9H9ClFNO/c10-5-6-13-12-7-8-1-3-9(11)4-2-8/h1-4,7H,5-6H2/b12-7+
InChIKeyAIXJJHLKLRCOLC-KPKJPENVSA-N
XLogP2.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-(4-fluorophenyl)methylideneamino]oxypropan-1-amine
CID 44597713
O-Methylbenzaldoxime
CID 520653
Benzaldehyde, O-methyloxime
CID 5352920
(E)-1-(3,4-difluorophenyl)-N-methoxymethanimine
CID 21947354
(E)-1-(4-fluorophenyl)-N-(2-methylpropoxy)methanimine
CID 21947404
(E)-N-ethoxy-1-(4-fluorophenyl)methanimine
CID 21947444
(E)-1-(4-fluorophenyl)-N-methoxymethanimine
CID 21947454
1-(2,4-Difluorophenyl)-N-methoxymethanimine
CID 21947500
(E)-1-(3-fluorophenyl)-N-methoxymethanimine
CID 21947537
[C(E)]-2-Fluorobenzaldehyde O-methyloxime
CID 21947542
Benzaldehyde, O-isopropyloxime
CID 9602814
O-Ethylbenzaldoxime
CID 9603202

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine?
The IUPAC name of (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine (CID 23499565) is (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine?
The canonical SMILES for (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine is Fc1ccc(/C=N/OCCCl)cc1.
What is the InChIKey of (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine?
The InChIKey is AIXJJHLKLRCOLC-KPKJPENVSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-5-6-13-12-7-8-1-3-9(11)4-2-8/h1-4,7H,5-6H2/b12-7+.
What are the key properties of (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine?
(E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine has a molecular weight of 201.63 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloroethoxy)-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 23499565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).