5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran

C15H13FOS — CID 147180543

IUPAC5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
SMILESFc1ccc2c(c1)CC(CSc1ccccc1)O2
InChIInChI=1S/C15H13FOS/c16-12-6-7-15-11(8-12)9-13(17-15)10-18-14-4-2-1-3-5-14/h1-8,13H,9-10H2
InChIKeyBZMZBTKOGQXDBX-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.92
Rot. Bonds3

About 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran

5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran (PubChem CID 147180543) has the molecular formula C15H13FOS and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
PubChem CID147180543
Molecular FormulaC15H13FOS
Molecular Weight260.33 g/mol
Exact Mass260.07
IUPAC Name5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
SMILESFc1ccc2c(c1)CC(CSc1ccccc1)O2
InChIInChI=1S/C15H13FOS/c16-12-6-7-15-11(8-12)9-13(17-15)10-18-14-4-2-1-3-5-14/h1-8,13H,9-10H2
InChIKeyBZMZBTKOGQXDBX-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
CID 66359946
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
CID 66364079
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylaniline
CID 66362969
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
CID 66365684
4-fluoro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 79148989
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 66364862
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
3-fluoro-5-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 66361379
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]benzoic acid
CID 66361709

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran (CID 147180543) is 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran is Fc1ccc2c(c1)CC(CSc1ccccc1)O2.
What is the InChIKey of 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is BZMZBTKOGQXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS/c16-12-6-7-15-11(8-12)9-13(17-15)10-18-14-4-2-1-3-5-14/h1-8,13H,9-10H2.
What are the key properties of 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 260.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 147180543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).