amino-(4-bromo-2-fluorophenyl)methanol

C7H7BrFNO — CID 91107044

IUPACamino-(4-bromo-2-fluorophenyl)methanol
SMILESNC(O)c1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7,11H,10H2
InChIKeyXRCJASVOAJJKDY-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.54
Rot. Bonds1

About amino-(4-bromo-2-fluorophenyl)methanol

amino-(4-bromo-2-fluorophenyl)methanol (PubChem CID 91107044) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is amino-(4-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Nameamino-(4-bromo-2-fluorophenyl)methanol
PubChem CID91107044
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Nameamino-(4-bromo-2-fluorophenyl)methanol
SMILESNC(O)c1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7,11H,10H2
InChIKeyXRCJASVOAJJKDY-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(4-bromo-2-fluorophenyl)methanol?
The IUPAC name of amino-(4-bromo-2-fluorophenyl)methanol (CID 91107044) is amino-(4-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for amino-(4-bromo-2-fluorophenyl)methanol?
The canonical SMILES for amino-(4-bromo-2-fluorophenyl)methanol is NC(O)c1ccc(Br)cc1F.
What is the InChIKey of amino-(4-bromo-2-fluorophenyl)methanol?
The InChIKey is XRCJASVOAJJKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7,11H,10H2.
What are the key properties of amino-(4-bromo-2-fluorophenyl)methanol?
amino-(4-bromo-2-fluorophenyl)methanol has a molecular weight of 220.04 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 91107044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).