[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol

C8H7BrF3NO — CID 130775166

IUPAC[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
SMILESNc1cc(CO)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3NO/c9-7-4(3-14)1-5(13)2-6(7)8(10,11)12/h1-2,14H,3,13H2
InChIKeyKOOQRGIWSCOGGM-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.54
Rot. Bonds1

About [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol

[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol (PubChem CID 130775166) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
PubChem CID130775166
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
SMILESNc1cc(CO)c(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3NO/c9-7-4(3-14)1-5(13)2-6(7)8(10,11)12/h1-2,14H,3,13H2
InChIKeyKOOQRGIWSCOGGM-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.54
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 [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol (CID 130775166) is [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol is Nc1cc(CO)c(Br)c(C(F)(F)F)c1.
What is the InChIKey of [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is KOOQRGIWSCOGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-7-4(3-14)1-5(13)2-6(7)8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol?
[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 270.05 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 130775166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).