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

C9H9F4NO — CID 23499553

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c1-15-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyAHDYSTTZURBUQY-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.50
Rot. Bonds3

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

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine (PubChem CID 23499553) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine
PubChem CID23499553
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c1-15-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyAHDYSTTZURBUQY-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine (CID 23499553) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine is CONCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine?
The InChIKey is AHDYSTTZURBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-15-14-5-6-2-3-7(10)4-8(6)9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 23499553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).