1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine

C11H9F6NO — CID 57317397

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-6(18-19-2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-5,18H,1H2,2H3
InChIKeyCLRAQRJVUNJVLL-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.85
Rot. Bonds3

About 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine

1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine (PubChem CID 57317397) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
PubChem CID57317397
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-6(18-19-2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-5,18H,1H2,2H3
InChIKeyCLRAQRJVUNJVLL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

n-(4-Fluoro-2-trifluoromethyl-benzyl)-o-methyl-hydroxylamine
CID 23499553
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine
CID 53834709
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57099402
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57154719

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine (CID 57317397) is 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine is C=C(NOC)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine?
The InChIKey is CLRAQRJVUNJVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-6(18-19-2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-5,18H,1H2,2H3.
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine?
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine has a molecular weight of 285.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine is sourced from PubChem (CID 57317397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).