(E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine

C9H7F4NO — CID 23499558

IUPAC(E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H7F4NO/c1-15-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-5H,1H3/b14-5+
InChIKeyATTIFERTNAWNMS-LHHJGKSTSA-N
MW221.15 g/mol
LogP2.82
Rot. Bonds2

About (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine

(E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine (PubChem CID 23499558) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine
PubChem CID23499558
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC Name(E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine
SMILESCO/N=C/c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H7F4NO/c1-15-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-5H,1H3/b14-5+
InChIKeyATTIFERTNAWNMS-LHHJGKSTSA-N
XLogP2.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.82
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-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine?
The IUPAC name of (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine (CID 23499558) is (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine.
What is the SMILES notation for (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine?
The canonical SMILES for (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine is CO/N=C/c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine?
The InChIKey is ATTIFERTNAWNMS-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H7F4NO/c1-15-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-5H,1H3/b14-5+.
What are the key properties of (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine?
(E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine has a molecular weight of 221.15 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanimine is sourced from PubChem (CID 23499558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).