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

C9H9BrF3NO — CID 66666098

IUPAC(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol
SMILESN[C@@](CO)(c1cc(Br)ccc1F)C(F)F
InChIInChI=1S/C9H9BrF3NO/c10-5-1-2-7(11)6(3-5)9(14,4-15)8(12)13/h1-3,8,15H,4,14H2/t9-/m0/s1
InChIKeyPXQFSQCKZBITCG-VIFPVBQESA-N
MW284.07 g/mol
LogP2.00
Rot. Bonds3

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

(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol (PubChem CID 66666098) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol
PubChem CID66666098
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC Name(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol
SMILESN[C@@](CO)(c1cc(Br)ccc1F)C(F)F
InChIInChI=1S/C9H9BrF3NO/c10-5-1-2-7(11)6(3-5)9(14,4-15)8(12)13/h1-3,8,15H,4,14H2/t9-/m0/s1
InChIKeyPXQFSQCKZBITCG-VIFPVBQESA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol?
The IUPAC name of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol (CID 66666098) is (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol is N[C@@](CO)(c1cc(Br)ccc1F)C(F)F.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol?
The InChIKey is PXQFSQCKZBITCG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-5-1-2-7(11)6(3-5)9(14,4-15)8(12)13/h1-3,8,15H,4,14H2/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol?
(2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol has a molecular weight of 284.07 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-2-fluorophenyl)-3,3-difluoropropan-1-ol is sourced from PubChem (CID 66666098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).