3-amino-6-(trifluoromethyl)naphthalen-1-ol

C11H8F3NO — CID 105484357

IUPAC3-amino-6-(trifluoromethyl)naphthalen-1-ol
SMILESNc1cc(O)c2ccc(C(F)(F)F)cc2c1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)7-1-2-9-6(3-7)4-8(15)5-10(9)16/h1-5,16H,15H2
InChIKeyUFAZXCHTUUEBEW-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.15
Rot. Bonds

About 3-amino-6-(trifluoromethyl)naphthalen-1-ol

3-amino-6-(trifluoromethyl)naphthalen-1-ol (PubChem CID 105484357) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-amino-6-(trifluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound Name3-amino-6-(trifluoromethyl)naphthalen-1-ol
PubChem CID105484357
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-amino-6-(trifluoromethyl)naphthalen-1-ol
SMILESNc1cc(O)c2ccc(C(F)(F)F)cc2c1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)7-1-2-9-6(3-7)4-8(15)5-10(9)16/h1-5,16H,15H2
InChIKeyUFAZXCHTUUEBEW-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'}

Analyze 3-amino-6-(trifluoromethyl)naphthalen-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3,10-bis(trifluoromethyl)picene
CID 88902241
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
2,11-bis(trifluoromethyl)picene
CID 88902337
3-aminonaphthalene-1,7-diol
CID 105435991
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
1-bromo-7-(trifluoromethyl)isoquinolin-4-ol
CID 141275218
2-methyl-6-(trifluoromethyl)quinolin-3-ol
CID 74222839
2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
5-(trifluoromethyl)-1-benzothiophen-2-amine
CID 134691946

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(trifluoromethyl)naphthalen-1-ol?
The IUPAC name of 3-amino-6-(trifluoromethyl)naphthalen-1-ol (CID 105484357) is 3-amino-6-(trifluoromethyl)naphthalen-1-ol.
What is the SMILES notation for 3-amino-6-(trifluoromethyl)naphthalen-1-ol?
The canonical SMILES for 3-amino-6-(trifluoromethyl)naphthalen-1-ol is Nc1cc(O)c2ccc(C(F)(F)F)cc2c1.
What is the InChIKey of 3-amino-6-(trifluoromethyl)naphthalen-1-ol?
The InChIKey is UFAZXCHTUUEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-11(13,14)7-1-2-9-6(3-7)4-8(15)5-10(9)16/h1-5,16H,15H2.
What are the key properties of 3-amino-6-(trifluoromethyl)naphthalen-1-ol?
3-amino-6-(trifluoromethyl)naphthalen-1-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 3-amino-6-(trifluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 105484357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).