(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol

C10H11BrF3NO — CID 57486359

IUPAC(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
SMILESC[C@@](N)(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11BrF3NO/c1-9(15,10(13,14)5-16)7-4-6(11)2-3-8(7)12/h2-4,16H,5,15H2,1H3/t9-/m1/s1
InChIKeyGXDBBLGEZPJVHO-SECBINFHSA-N
MW298.10 g/mol
LogP2.39
Rot. Bonds3

About (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol

(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol (PubChem CID 57486359) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
PubChem CID57486359
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
SMILESC[C@@](N)(c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C10H11BrF3NO/c1-9(15,10(13,14)5-16)7-4-6(11)2-3-8(7)12/h2-4,16H,5,15H2,1H3/t9-/m1/s1
InChIKeyGXDBBLGEZPJVHO-SECBINFHSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.39
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)-2,2-difluorobutan-1-ol?
The IUPAC name of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol (CID 57486359) is (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol is C[C@@](N)(c1cc(Br)ccc1F)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
The InChIKey is GXDBBLGEZPJVHO-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-9(15,10(13,14)5-16)7-4-6(11)2-3-8(7)12/h2-4,16H,5,15H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol?
(3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol has a molecular weight of 298.10 g/mol, XLogP of 2.39, 3 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)-2,2-difluorobutan-1-ol is sourced from PubChem (CID 57486359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).