4-amino-3-chloro-2-(trifluoromethyl)phenol

C7H5ClF3NO — CID 119003890

IUPAC4-amino-3-chloro-2-(trifluoromethyl)phenol
SMILESNc1ccc(O)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO/c8-6-3(12)1-2-4(13)5(6)7(9,10)11/h1-2,13H,12H2
InChIKeyFEWLMSRIYVPVLT-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.65
Rot. Bonds

About 4-amino-3-chloro-2-(trifluoromethyl)phenol

4-amino-3-chloro-2-(trifluoromethyl)phenol (PubChem CID 119003890) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-amino-3-chloro-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-amino-3-chloro-2-(trifluoromethyl)phenol
PubChem CID119003890
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-amino-3-chloro-2-(trifluoromethyl)phenol
SMILESNc1ccc(O)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO/c8-6-3(12)1-2-4(13)5(6)7(9,10)11/h1-2,13H,12H2
InChIKeyFEWLMSRIYVPVLT-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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 119003965
2-chloro-4-(chloromethyl)-3-(trifluoromethyl)aniline
CID 130971493
6-amino-3-chloro-2-(trifluoromethyl)phenol
CID 68682278
2-amino-4-chloro-3-(trifluoromethyl)phenol
CID 58148280
4-amino-2-bromo-3-(trifluoromethyl)phenol
CID 130632614
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
7-amino-1-(trifluoromethyl)naphthalen-2-ol
CID 141473254
4-chloro-2-iodo-3-(trifluoromethyl)aniline
CID 118805865
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
methyl 4-amino-2-chloro-3-(trifluoromethyl)benzoate
CID 131512668
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-2-(trifluoromethyl)phenol?
The IUPAC name of 4-amino-3-chloro-2-(trifluoromethyl)phenol (CID 119003890) is 4-amino-3-chloro-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-amino-3-chloro-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-amino-3-chloro-2-(trifluoromethyl)phenol is Nc1ccc(O)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-amino-3-chloro-2-(trifluoromethyl)phenol?
The InChIKey is FEWLMSRIYVPVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-6-3(12)1-2-4(13)5(6)7(9,10)11/h1-2,13H,12H2.
What are the key properties of 4-amino-3-chloro-2-(trifluoromethyl)phenol?
4-amino-3-chloro-2-(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 4-amino-3-chloro-2-(trifluoromethyl)phenol is sourced from PubChem (CID 119003890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).