5-amino-3-chloro-2-(trifluoromethoxy)phenol

C7H5ClF3NO2 — CID 130820581

IUPAC5-amino-3-chloro-2-(trifluoromethoxy)phenol
SMILESNc1cc(O)c(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H5ClF3NO2/c8-4-1-3(12)2-5(13)6(4)14-7(9,10)11/h1-2,13H,12H2
InChIKeySQZNCCOJFIZRQR-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.53
Rot. Bonds1

About 5-amino-3-chloro-2-(trifluoromethoxy)phenol

5-amino-3-chloro-2-(trifluoromethoxy)phenol (PubChem CID 130820581) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name5-amino-3-chloro-2-(trifluoromethoxy)phenol
PubChem CID130820581
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name5-amino-3-chloro-2-(trifluoromethoxy)phenol
SMILESNc1cc(O)c(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C7H5ClF3NO2/c8-4-1-3(12)2-5(13)6(4)14-7(9,10)11/h1-2,13H,12H2
InChIKeySQZNCCOJFIZRQR-UHFFFAOYSA-N
XLogP2.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-3-(trifluoromethoxy)phenol
CID 118850628
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
4,6-dichloro-5-(trifluoromethoxy)pyridin-2-amine
CID 130093745
5-amino-2,3-dichlorophenol
CID 58116859
methyl 3-amino-5-chloro-4-(trifluoromethoxy)benzoate
CID 134645550
4-chloro-6-fluoro-5-(trifluoromethoxy)pyridin-2-amine
CID 131190696
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 131029007
3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
3,5-dichloro-4-(1,2,3,3,3-pentafluoropropoxy)aniline
CID 141078575
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130093865
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(trifluoromethoxy)phenol?
The IUPAC name of 5-amino-3-chloro-2-(trifluoromethoxy)phenol (CID 130820581) is 5-amino-3-chloro-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 5-amino-3-chloro-2-(trifluoromethoxy)phenol?
The canonical SMILES for 5-amino-3-chloro-2-(trifluoromethoxy)phenol is Nc1cc(O)c(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-amino-3-chloro-2-(trifluoromethoxy)phenol?
The InChIKey is SQZNCCOJFIZRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-4-1-3(12)2-5(13)6(4)14-7(9,10)11/h1-2,13H,12H2.
What are the key properties of 5-amino-3-chloro-2-(trifluoromethoxy)phenol?
5-amino-3-chloro-2-(trifluoromethoxy)phenol has a molecular weight of 227.57 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 130820581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).