1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

C10H10F3NO — CID 153409603

IUPAC1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-7-4-2-1-3-6(7)8(14)5-15-9/h1-4,8-9H,5,14H2
InChIKeySPJCSOLJTAMACC-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.32
Rot. Bonds

About 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 153409603) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID153409603
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-7-4-2-1-3-6(7)8(14)5-15-9/h1-4,8-9H,5,14H2
InChIKeySPJCSOLJTAMACC-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine (CID 153409603) is 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine is NC1COC(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is SPJCSOLJTAMACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9-7-4-2-1-3-6(7)8(14)5-15-9/h1-4,8-9H,5,14H2.
What are the key properties of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 217.19 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 153409603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).