3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine

C10H10F3NO — CID 57310683

IUPAC3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine
SMILESCONC(=CC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-15-14-9(7-10(11,12)13)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyWXQGJMUOHPGQNQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.74
Rot. Bonds3

About 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine

3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine (PubChem CID 57310683) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine
PubChem CID57310683
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine
SMILESCONC(=CC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-15-14-9(7-10(11,12)13)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyWXQGJMUOHPGQNQ-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine 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

Benzyl(methoxy)amine
CID 11815413
Benzyl(methoxy)amine hydrochloride
CID 71358116
Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
n-(4-Fluoro-2-trifluoromethyl-benzyl)-o-methyl-hydroxylamine
CID 23499553
o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
Methoxy({1-[3-(trifluoromethyl)phenyl]ethyl})amine hydrochloride
CID 122164184
methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene
CID 14249019

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine (CID 57310683) is 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine is CONC(=CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine?
The InChIKey is WXQGJMUOHPGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-15-14-9(7-10(11,12)13)8-5-3-2-4-6-8/h2-7,14H,1H3.
What are the key properties of 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine?
3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine has a molecular weight of 217.19 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 57310683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).