(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one

C13H9FO2S — CID 122202415

IUPAC(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one
SMILESO=C1O[C@](CF)(c2cccs2)c2ccccc21
InChIInChI=1S/C13H9FO2S/c14-8-13(11-6-3-7-17-11)10-5-2-1-4-9(10)12(15)16-13/h1-7H,8H2/t13-/m0/s1
InChIKeyCYRKHIIJGCSZDW-ZDUSSCGKSA-N
MW248.28 g/mol
LogP3.13
Rot. Bonds2

About (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one

(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one (PubChem CID 122202415) has the molecular formula C13H9FO2S and a molecular weight of 248.28 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one
PubChem CID122202415
Molecular FormulaC13H9FO2S
Molecular Weight248.28 g/mol
Exact Mass248.03
IUPAC Name(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one
SMILESO=C1O[C@](CF)(c2cccs2)c2ccccc21
InChIInChI=1S/C13H9FO2S/c14-8-13(11-6-3-7-17-11)10-5-2-1-4-9(10)12(15)16-13/h1-7H,8H2/t13-/m0/s1
InChIKeyCYRKHIIJGCSZDW-ZDUSSCGKSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one?
The IUPAC name of (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one (CID 122202415) is (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one is O=C1O[C@](CF)(c2cccs2)c2ccccc21.
What is the InChIKey of (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one?
The InChIKey is CYRKHIIJGCSZDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H9FO2S/c14-8-13(11-6-3-7-17-11)10-5-2-1-4-9(10)12(15)16-13/h1-7H,8H2/t13-/m0/s1.
What are the key properties of (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one?
(3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one has a molecular weight of 248.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(fluoromethyl)-3-thiophen-2-yl-2-benzofuran-1-one is sourced from PubChem (CID 122202415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).