(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol

C11H15BrFNO — CID 58155290

IUPAC(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)[C@](C)(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-10(2,15)11(3,14)8-6-7(12)4-5-9(8)13/h4-6,15H,14H2,1-3H3/t11-/m1/s1
InChIKeyURHHPQKVIPBNAN-LLVKDONJSA-N
MW276.15 g/mol
LogP2.53
Rot. Bonds2

About (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol

(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol (PubChem CID 58155290) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol
PubChem CID58155290
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)[C@](C)(N)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-10(2,15)11(3,14)8-6-7(12)4-5-9(8)13/h4-6,15H,14H2,1-3H3/t11-/m1/s1
InChIKeyURHHPQKVIPBNAN-LLVKDONJSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol?
The IUPAC name of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol (CID 58155290) is (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol is CC(C)(O)[C@](C)(N)c1cc(Br)ccc1F.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol?
The InChIKey is URHHPQKVIPBNAN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-10(2,15)11(3,14)8-6-7(12)4-5-9(8)13/h4-6,15H,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol?
(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 58155290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).