2-azido-4-(trifluoromethyl)phenol

C7H4F3N3O — CID 118418215

IUPAC2-azido-4-(trifluoromethyl)phenol
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-6(14)5(3-4)12-13-11/h1-3,14H
InChIKeyCGTSBLUGTOOCSR-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.35
Rot. Bonds1

About 2-azido-4-(trifluoromethyl)phenol

2-azido-4-(trifluoromethyl)phenol (PubChem CID 118418215) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 2-azido-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-azido-4-(trifluoromethyl)phenol
PubChem CID118418215
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name2-azido-4-(trifluoromethyl)phenol
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-6(14)5(3-4)12-13-11/h1-3,14H
InChIKeyCGTSBLUGTOOCSR-UHFFFAOYSA-N
XLogP3.35
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-4-(trifluoromethyl)phenol?
The IUPAC name of 2-azido-4-(trifluoromethyl)phenol (CID 118418215) is 2-azido-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-azido-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-azido-4-(trifluoromethyl)phenol is [N-]=[N+]=Nc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-azido-4-(trifluoromethyl)phenol?
The InChIKey is CGTSBLUGTOOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-6(14)5(3-4)12-13-11/h1-3,14H.
What are the key properties of 2-azido-4-(trifluoromethyl)phenol?
2-azido-4-(trifluoromethyl)phenol has a molecular weight of 203.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-(trifluoromethyl)phenol is sourced from PubChem (CID 118418215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).