6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol

C15H13F3N2O — CID 144945329

IUPAC6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol
SMILESNc1ccc2c(c1)C(O)N(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-2-1-3-12(6-10)20-8-9-4-5-11(19)7-13(9)14(20)21/h1-7,14,21H,8,19H2
InChIKeyOPUQJRXYEAOTEG-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.30
Rot. Bonds1

About 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol

6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol (PubChem CID 144945329) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol.

Molecular Properties

Compound Name6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol
PubChem CID144945329
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol
SMILESNc1ccc2c(c1)C(O)N(c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)10-2-1-3-12(6-10)20-8-9-4-5-11(19)7-13(9)14(20)21/h1-7,14,21H,8,19H2
InChIKeyOPUQJRXYEAOTEG-UHFFFAOYSA-N
XLogP3.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 59492541
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CID 155808121
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CID 43715013
CID 43715013
CID 58438879
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CID 58439087
CID 58439087
CID 58868703
CID 58868703
CID 67296743
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CID 68205839
CID 68205839

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol?
The IUPAC name of 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol (CID 144945329) is 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol.
What is the SMILES notation for 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol?
The canonical SMILES for 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol is Nc1ccc2c(c1)C(O)N(c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol?
The InChIKey is OPUQJRXYEAOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)10-2-1-3-12(6-10)20-8-9-4-5-11(19)7-13(9)14(20)21/h1-7,14,21H,8,19H2.
What are the key properties of 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol?
6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol has a molecular weight of 294.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-1-ol is sourced from PubChem (CID 144945329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).