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

C7H5F4NO — CID 66598018

IUPAC2-amino-6-fluoro-3-(trifluoromethyl)phenol
SMILESNc1c(C(F)(F)F)ccc(F)c1O
InChIInChI=1S/C7H5F4NO/c8-4-2-1-3(7(9,10)11)5(12)6(4)13/h1-2,13H,12H2
InChIKeyNXWFKRHLMLGCLQ-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.13
Rot. Bonds

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

2-amino-6-fluoro-3-(trifluoromethyl)phenol (PubChem CID 66598018) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 2-amino-6-fluoro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-amino-6-fluoro-3-(trifluoromethyl)phenol
PubChem CID66598018
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name2-amino-6-fluoro-3-(trifluoromethyl)phenol
SMILESNc1c(C(F)(F)F)ccc(F)c1O
InChIInChI=1S/C7H5F4NO/c8-4-2-1-3(7(9,10)11)5(12)6(4)13/h1-2,13H,12H2
InChIKeyNXWFKRHLMLGCLQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-3-(trifluoromethyl)phenol?
The IUPAC name of 2-amino-6-fluoro-3-(trifluoromethyl)phenol (CID 66598018) is 2-amino-6-fluoro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-amino-6-fluoro-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-amino-6-fluoro-3-(trifluoromethyl)phenol is Nc1c(C(F)(F)F)ccc(F)c1O.
What is the InChIKey of 2-amino-6-fluoro-3-(trifluoromethyl)phenol?
The InChIKey is NXWFKRHLMLGCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-4-2-1-3(7(9,10)11)5(12)6(4)13/h1-2,13H,12H2.
What are the key properties of 2-amino-6-fluoro-3-(trifluoromethyl)phenol?
2-amino-6-fluoro-3-(trifluoromethyl)phenol has a molecular weight of 195.12 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 66598018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).