[3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol

C8H7BrF3NO2 — CID 131510909

IUPAC[3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(CO)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-5-1-4(3-14)2-6(13)7(5)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyDHQRUTVMLJTIEF-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.42
Rot. Bonds2

About [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol

[3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol (PubChem CID 131510909) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol
PubChem CID131510909
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name[3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(CO)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-5-1-4(3-14)2-6(13)7(5)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyDHQRUTVMLJTIEF-UHFFFAOYSA-N
XLogP2.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-bromo-4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol (CID 131510909) is [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol is Nc1cc(CO)cc(Br)c1OC(F)(F)F.
What is the InChIKey of [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is DHQRUTVMLJTIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-5-1-4(3-14)2-6(13)7(5)15-8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol?
[3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 286.05 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-bromo-4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 131510909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).