7-amino-1-(trifluoromethyl)naphthalen-2-ol

C11H8F3NO — CID 141473254

IUPAC7-amino-1-(trifluoromethyl)naphthalen-2-ol
SMILESNc1ccc2ccc(O)c(C(F)(F)F)c2c1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)10-8-5-7(15)3-1-6(8)2-4-9(10)16/h1-5,16H,15H2
InChIKeyBBTGNWXXDYJEKX-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.15
Rot. Bonds

About 7-amino-1-(trifluoromethyl)naphthalen-2-ol

7-amino-1-(trifluoromethyl)naphthalen-2-ol (PubChem CID 141473254) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 7-amino-1-(trifluoromethyl)naphthalen-2-ol.

Molecular Properties

Compound Name7-amino-1-(trifluoromethyl)naphthalen-2-ol
PubChem CID141473254
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name7-amino-1-(trifluoromethyl)naphthalen-2-ol
SMILESNc1ccc2ccc(O)c(C(F)(F)F)c2c1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)10-8-5-7(15)3-1-6(8)2-4-9(10)16/h1-5,16H,15H2
InChIKeyBBTGNWXXDYJEKX-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.15
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 7-amino-1-(trifluoromethyl)naphthalen-2-ol?
The IUPAC name of 7-amino-1-(trifluoromethyl)naphthalen-2-ol (CID 141473254) is 7-amino-1-(trifluoromethyl)naphthalen-2-ol.
What is the SMILES notation for 7-amino-1-(trifluoromethyl)naphthalen-2-ol?
The canonical SMILES for 7-amino-1-(trifluoromethyl)naphthalen-2-ol is Nc1ccc2ccc(O)c(C(F)(F)F)c2c1.
What is the InChIKey of 7-amino-1-(trifluoromethyl)naphthalen-2-ol?
The InChIKey is BBTGNWXXDYJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-11(13,14)10-8-5-7(15)3-1-6(8)2-4-9(10)16/h1-5,16H,15H2.
What are the key properties of 7-amino-1-(trifluoromethyl)naphthalen-2-ol?
7-amino-1-(trifluoromethyl)naphthalen-2-ol has a molecular weight of 227.19 g/mol, XLogP of 3.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(trifluoromethyl)naphthalen-2-ol is sourced from PubChem (CID 141473254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).