(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine

C12H13ClFNO — CID 88855602

IUPAC(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
SMILESCO/N=C(\C)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6H2,1-2H3/b15-7+
InChIKeyFDRAITCEFKGWEH-VIZOYTHASA-N
MW241.69 g/mol
LogP3.60
Rot. Bonds3

About (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine

(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine (PubChem CID 88855602) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
PubChem CID88855602
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
SMILESCO/N=C(\C)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6H2,1-2H3/b15-7+
InChIKeyFDRAITCEFKGWEH-VIZOYTHASA-N
XLogP3.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine (CID 88855602) is (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine is CO/N=C(\C)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
The InChIKey is FDRAITCEFKGWEH-VIZOYTHASA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,8-9H,6H2,1-2H3/b15-7+.
What are the key properties of (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine?
(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine has a molecular weight of 241.69 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine is sourced from PubChem (CID 88855602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).