(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one

C15H10BrFO2 — CID 122202409

IUPAC(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one
SMILESO=C1O[C@](CF)(c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C15H10BrFO2/c16-11-6-7-13-12(8-11)14(18)19-15(13,9-17)10-4-2-1-3-5-10/h1-8H,9H2/t15-/m1/s1
InChIKeyHAKPIHFPFVICDY-OAHLLOKOSA-N
MW321.15 g/mol
LogP3.83
Rot. Bonds2

About (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one

(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one (PubChem CID 122202409) has the molecular formula C15H10BrFO2 and a molecular weight of 321.15 g/mol. Its IUPAC name is (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one
PubChem CID122202409
Molecular FormulaC15H10BrFO2
Molecular Weight321.15 g/mol
Exact Mass319.98
IUPAC Name(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one
SMILESO=C1O[C@](CF)(c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C15H10BrFO2/c16-11-6-7-13-12(8-11)14(18)19-15(13,9-17)10-4-2-1-3-5-10/h1-8H,9H2/t15-/m1/s1
InChIKeyHAKPIHFPFVICDY-OAHLLOKOSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one?
The IUPAC name of (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one (CID 122202409) is (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one is O=C1O[C@](CF)(c2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one?
The InChIKey is HAKPIHFPFVICDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H10BrFO2/c16-11-6-7-13-12(8-11)14(18)19-15(13,9-17)10-4-2-1-3-5-10/h1-8H,9H2/t15-/m1/s1.
What are the key properties of (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one?
(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one has a molecular weight of 321.15 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 122202409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).