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

C7H5BrF3NO — CID 130632614

IUPAC4-amino-2-bromo-3-(trifluoromethyl)phenol
SMILESNc1ccc(O)c(Br)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2,13H,12H2
InChIKeyNLFUOCBMJWNRRA-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.76
Rot. Bonds

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

4-amino-2-bromo-3-(trifluoromethyl)phenol (PubChem CID 130632614) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 4-amino-2-bromo-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-amino-2-bromo-3-(trifluoromethyl)phenol
PubChem CID130632614
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name4-amino-2-bromo-3-(trifluoromethyl)phenol
SMILESNc1ccc(O)c(Br)c1C(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2,13H,12H2
InChIKeyNLFUOCBMJWNRRA-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.76
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

3-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130699155
4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890
4-amino-2-bromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 118840543
4-bromo-3-iodo-2-(trifluoromethyl)aniline
CID 118828640
4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753
4-bromo-3-(chloromethyl)-2-(trifluoromethyl)aniline
CID 131070740
6-amino-3-chloro-2-(trifluoromethyl)phenol
CID 68682278
2-amino-4-chloro-3-(trifluoromethyl)phenol
CID 58148280
2-bromo-3-(trifluoromethyl)pyridin-4-amine
CID 118846163
4-iodo-2,3-bis(trifluoromethyl)aniline
CID 119023221
methyl 4-amino-3-bromo-2-(trifluoromethyl)benzoate
CID 131398769
3,6-dibromo-4,5-bis(trifluoromethyl)benzene-1,2-diamine
CID 175668720

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-3-(trifluoromethyl)phenol?
The IUPAC name of 4-amino-2-bromo-3-(trifluoromethyl)phenol (CID 130632614) is 4-amino-2-bromo-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-amino-2-bromo-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-amino-2-bromo-3-(trifluoromethyl)phenol is Nc1ccc(O)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-amino-2-bromo-3-(trifluoromethyl)phenol?
The InChIKey is NLFUOCBMJWNRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2,13H,12H2.
What are the key properties of 4-amino-2-bromo-3-(trifluoromethyl)phenol?
4-amino-2-bromo-3-(trifluoromethyl)phenol has a molecular weight of 256.02 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-3-(trifluoromethyl)phenol is sourced from PubChem (CID 130632614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).