1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid

C11H12F3NO3 — CID 173126833

IUPAC1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid
SMILESNC1(O)CCc2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11NO.C2HF3O2/c10-9(11)6-5-7-3-1-2-4-8(7)9;3-2(4,5)1(6)7/h1-4,11H,5-6,10H2;(H,6,7)
InChIKeyODKKHGCUOVCULR-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.37
Rot. Bonds

About 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid

1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 173126833) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid
PubChem CID173126833
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid
SMILESNC1(O)CCc2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11NO.C2HF3O2/c10-9(11)6-5-7-3-1-2-4-8(7)9;3-2(4,5)1(6)7/h1-4,11H,5-6,10H2;(H,6,7)
InChIKeyODKKHGCUOVCULR-UHFFFAOYSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid (CID 173126833) is 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid is NC1(O)CCc2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ODKKHGCUOVCULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2HF3O2/c10-9(11)6-5-7-3-1-2-4-8(7)9;3-2(4,5)1(6)7/h1-4,11H,5-6,10H2;(H,6,7).
What are the key properties of 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid?
1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 263.21 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173126833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).