2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid

C11H11FO3S — CID 66364079

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
SMILESO=C(O)CSCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO3S/c12-8-1-2-10-7(3-8)4-9(15-10)5-16-6-11(13)14/h1-3,9H,4-6H2,(H,13,14)
InChIKeyRHPLLQDMZSEQKP-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.95
Rot. Bonds4

About 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid (PubChem CID 66364079) has the molecular formula C11H11FO3S and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
PubChem CID66364079
Molecular FormulaC11H11FO3S
Molecular Weight242.27 g/mol
Exact Mass242.04
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
SMILESO=C(O)CSCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO3S/c12-8-1-2-10-7(3-8)4-9(15-10)5-16-6-11(13)14/h1-3,9H,4-6H2,(H,13,14)
InChIKeyRHPLLQDMZSEQKP-UHFFFAOYSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid (CID 66364079) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid is O=C(O)CSCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid?
The InChIKey is RHPLLQDMZSEQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3S/c12-8-1-2-10-7(3-8)4-9(15-10)5-16-6-11(13)14/h1-3,9H,4-6H2,(H,13,14).
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 66364079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).