3-amino-2-methyl-6-(trifluoromethyl)phenol

C8H8F3NO — CID 131478752

IUPAC3-amino-2-methyl-6-(trifluoromethyl)phenol
SMILESCc1c(N)ccc(C(F)(F)F)c1O
InChIInChI=1S/C8H8F3NO/c1-4-6(12)3-2-5(7(4)13)8(9,10)11/h2-3,13H,12H2,1H3
InChIKeyVYTXRRMIUZDRKW-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.30
Rot. Bonds

About 3-amino-2-methyl-6-(trifluoromethyl)phenol

3-amino-2-methyl-6-(trifluoromethyl)phenol (PubChem CID 131478752) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-amino-2-methyl-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-amino-2-methyl-6-(trifluoromethyl)phenol
PubChem CID131478752
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-amino-2-methyl-6-(trifluoromethyl)phenol
SMILESCc1c(N)ccc(C(F)(F)F)c1O
InChIInChI=1S/C8H8F3NO/c1-4-6(12)3-2-5(7(4)13)8(9,10)11/h2-3,13H,12H2,1H3
InChIKeyVYTXRRMIUZDRKW-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.30
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 3-amino-2-methyl-6-(trifluoromethyl)phenol?
The IUPAC name of 3-amino-2-methyl-6-(trifluoromethyl)phenol (CID 131478752) is 3-amino-2-methyl-6-(trifluoromethyl)phenol.
What is the SMILES notation for 3-amino-2-methyl-6-(trifluoromethyl)phenol?
The canonical SMILES for 3-amino-2-methyl-6-(trifluoromethyl)phenol is Cc1c(N)ccc(C(F)(F)F)c1O.
What is the InChIKey of 3-amino-2-methyl-6-(trifluoromethyl)phenol?
The InChIKey is VYTXRRMIUZDRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-6(12)3-2-5(7(4)13)8(9,10)11/h2-3,13H,12H2,1H3.
What are the key properties of 3-amino-2-methyl-6-(trifluoromethyl)phenol?
3-amino-2-methyl-6-(trifluoromethyl)phenol has a molecular weight of 191.15 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-6-(trifluoromethyl)phenol is sourced from PubChem (CID 131478752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).