2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol

C11H13BrFNO — CID 58155345

IUPAC2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol
SMILESNC(CO)(c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C11H13BrFNO/c12-8-3-4-10(13)9(5-8)11(14,6-15)7-1-2-7/h3-5,7,15H,1-2,6,14H2
InChIKeyBUNFFKLFJOYJEM-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol

2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol (PubChem CID 58155345) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol
PubChem CID58155345
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol
SMILESNC(CO)(c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C11H13BrFNO/c12-8-3-4-10(13)9(5-8)11(14,6-15)7-1-2-7/h3-5,7,15H,1-2,6,14H2
InChIKeyBUNFFKLFJOYJEM-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol?
The IUPAC name of 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol (CID 58155345) is 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol.
What is the SMILES notation for 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol?
The canonical SMILES for 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol is NC(CO)(c1cc(Br)ccc1F)C1CC1.
What is the InChIKey of 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol?
The InChIKey is BUNFFKLFJOYJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-8-3-4-10(13)9(5-8)11(14,6-15)7-1-2-7/h3-5,7,15H,1-2,6,14H2.
What are the key properties of 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol?
2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol has a molecular weight of 274.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2-fluorophenyl)-2-cyclopropylethanol is sourced from PubChem (CID 58155345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).