2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride

C9H9FO3S — CID 165460112

IUPAC2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
SMILESCC1Cc2cc(S(=O)(=O)F)ccc2O1
InChIInChI=1S/C9H9FO3S/c1-6-4-7-5-8(14(10,11)12)2-3-9(7)13-6/h2-3,5-6H,4H2,1H3
InChIKeyGSNDZSKDPGOEJO-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.67
Rot. Bonds1

About 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride

2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride (PubChem CID 165460112) has the molecular formula C9H9FO3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
PubChem CID165460112
Molecular FormulaC9H9FO3S
Molecular Weight216.23 g/mol
Exact Mass216.03
IUPAC Name2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
SMILESCC1Cc2cc(S(=O)(=O)F)ccc2O1
InChIInChI=1S/C9H9FO3S/c1-6-4-7-5-8(14(10,11)12)2-3-9(7)13-6/h2-3,5-6H,4H2,1H3
InChIKeyGSNDZSKDPGOEJO-UHFFFAOYSA-N
XLogP1.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119973166
N-(4-aminocyclohexyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 75430990
(2S)-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 99603521
N-[3-hydroxy-2-(hydroxymethyl)propyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 139017544
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 119967986
N,2-dimethyl-N-pyrrolidin-3-yl-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119978923
N-(2-amino-2-cyclopropylethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120582443
N-[3,5-bis(hydroxymethyl)phenyl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126823942
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride (CID 165460112) is 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride is CC1Cc2cc(S(=O)(=O)F)ccc2O1.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride?
The InChIKey is GSNDZSKDPGOEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3S/c1-6-4-7-5-8(14(10,11)12)2-3-9(7)13-6/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride?
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride has a molecular weight of 216.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride is sourced from PubChem (CID 165460112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).