5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol

C16H14F3NO — CID 80562937

IUPAC5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)12-3-1-2-11(9-12)15(21)7-6-10-8-13(20)4-5-14(10)15/h1-5,8-9,21H,6-7,20H2
InChIKeyZIGAPSNLINSAHT-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.47
Rot. Bonds1

About 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol

5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol (PubChem CID 80562937) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
PubChem CID80562937
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)12-3-1-2-11(9-12)15(21)7-6-10-8-13(20)4-5-14(10)15/h1-5,8-9,21H,6-7,20H2
InChIKeyZIGAPSNLINSAHT-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol (CID 80562937) is 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The InChIKey is ZIGAPSNLINSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)12-3-1-2-11(9-12)15(21)7-6-10-8-13(20)4-5-14(10)15/h1-5,8-9,21H,6-7,20H2.
What are the key properties of 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol has a molecular weight of 293.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).