5-amino-2-(2,2,2-trifluoroethyl)phenol

C8H8F3NO — CID 67960100

IUPAC5-amino-2-(2,2,2-trifluoroethyl)phenol
SMILESNc1ccc(CC(F)(F)F)c(O)c1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)4-5-1-2-6(12)3-7(5)13/h1-3,13H,4,12H2
InChIKeyBOOUWELCTYADJU-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.08
Rot. Bonds1

About 5-amino-2-(2,2,2-trifluoroethyl)phenol

5-amino-2-(2,2,2-trifluoroethyl)phenol (PubChem CID 67960100) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-amino-2-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name5-amino-2-(2,2,2-trifluoroethyl)phenol
PubChem CID67960100
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name5-amino-2-(2,2,2-trifluoroethyl)phenol
SMILESNc1ccc(CC(F)(F)F)c(O)c1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)4-5-1-2-6(12)3-7(5)13/h1-3,13H,4,12H2
InChIKeyBOOUWELCTYADJU-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,2,2-trifluoroethyl)phenol
CID 142924300
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol
CID 164732401
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
5-amino-2-nonylphenol
CID 152595596
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
4-(fluoromethyl)-3-(trifluoromethyl)aniline
CID 91883575
3-propan-2-yl-4-(2,2,2-trifluoroethyl)phenol
CID 166533091
4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
CID 174573834
7-amino-1-(trifluoromethyl)naphthalen-2-ol
CID 141473254
4-(2,2-dimethylpropyl)-3-fluoroaniline
CID 121316201

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 5-amino-2-(2,2,2-trifluoroethyl)phenol (CID 67960100) is 5-amino-2-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 5-amino-2-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 5-amino-2-(2,2,2-trifluoroethyl)phenol is Nc1ccc(CC(F)(F)F)c(O)c1.
What is the InChIKey of 5-amino-2-(2,2,2-trifluoroethyl)phenol?
The InChIKey is BOOUWELCTYADJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)4-5-1-2-6(12)3-7(5)13/h1-3,13H,4,12H2.
What are the key properties of 5-amino-2-(2,2,2-trifluoroethyl)phenol?
5-amino-2-(2,2,2-trifluoroethyl)phenol has a molecular weight of 191.15 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 67960100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).