3-amino-4-chloro-5-(trifluoromethyl)phenol

C7H5ClF3NO — CID 119004792

IUPAC3-amino-4-chloro-5-(trifluoromethyl)phenol
SMILESNc1cc(O)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO/c8-6-4(7(9,10)11)1-3(13)2-5(6)12/h1-2,13H,12H2
InChIKeyDJLUDXDTWXPXKC-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.65
Rot. Bonds

About 3-amino-4-chloro-5-(trifluoromethyl)phenol

3-amino-4-chloro-5-(trifluoromethyl)phenol (PubChem CID 119004792) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 3-amino-4-chloro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-amino-4-chloro-5-(trifluoromethyl)phenol
PubChem CID119004792
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name3-amino-4-chloro-5-(trifluoromethyl)phenol
SMILESNc1cc(O)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO/c8-6-4(7(9,10)11)1-3(13)2-5(6)12/h1-2,13H,12H2
InChIKeyDJLUDXDTWXPXKC-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.65
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-4-chloro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-amino-4-chloro-5-(trifluoromethyl)phenol (CID 119004792) is 3-amino-4-chloro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-amino-4-chloro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-amino-4-chloro-5-(trifluoromethyl)phenol is Nc1cc(O)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-amino-4-chloro-5-(trifluoromethyl)phenol?
The InChIKey is DJLUDXDTWXPXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-6-4(7(9,10)11)1-3(13)2-5(6)12/h1-2,13H,12H2.
What are the key properties of 3-amino-4-chloro-5-(trifluoromethyl)phenol?
3-amino-4-chloro-5-(trifluoromethyl)phenol has a molecular weight of 211.57 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 119004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).