1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine

C10H9ClF3NO — CID 54232489

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-6(15-16-2)7-3-4-9(11)8(5-7)10(12,13)14/h3-5H,1-2H3
InChIKeyQKGNCLQLYKAXOP-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.73
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine

1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine (PubChem CID 54232489) has the molecular formula C10H9ClF3NO and a molecular weight of 251.64 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine
PubChem CID54232489
Molecular FormulaC10H9ClF3NO
Molecular Weight251.64 g/mol
Exact Mass251.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-6(15-16-2)7-3-4-9(11)8(5-7)10(12,13)14/h3-5H,1-2H3
InChIKeyQKGNCLQLYKAXOP-UHFFFAOYSA-N
XLogP3.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.73
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 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine (CID 54232489) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine is CON=C(C)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The InChIKey is QKGNCLQLYKAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6(15-16-2)7-3-4-9(11)8(5-7)10(12,13)14/h3-5H,1-2H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine has a molecular weight of 251.64 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 54232489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).