(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid

C10H11FO3S — CID 174959482

IUPAC(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
SMILESO=S(O)Cc1ccc(F)c2c1C(O)CC2
InChIInChI=1S/C10H11FO3S/c11-8-3-1-6(5-15(13)14)10-7(8)2-4-9(10)12/h1,3,9,12H,2,4-5H2,(H,13,14)
InChIKeyFSYXHCPEOKCFOY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.53
Rot. Bonds2

About (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid

(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid (PubChem CID 174959482) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid.

Molecular Properties

Compound Name(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
PubChem CID174959482
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
SMILESO=S(O)Cc1ccc(F)c2c1C(O)CC2
InChIInChI=1S/C10H11FO3S/c11-8-3-1-6(5-15(13)14)10-7(8)2-4-9(10)12/h1,3,9,12H,2,4-5H2,(H,13,14)
InChIKeyFSYXHCPEOKCFOY-UHFFFAOYSA-N
XLogP1.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 131145871
4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 130114805
3,5-dichloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)sulfinylmethyl]pyridine
CID 167896604
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130645514
(2-fluoro-4-methylphenyl)methanesulfinic acid
CID 58298361
(3-hydroxy-2,3-dihydro-1H-inden-5-yl)methanesulfinic acid
CID 174627369
(2-fluoro-4-formylphenyl)methanesulfinic acid
CID 174772635
(1R)-7-fluoro-4-[(5-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-ol
CID 144638108
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(2-amino-4-fluorophenyl)methanesulfinic acid
CID 174464385
(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 103845683
3-hydroxy-7-propoxy-2,3-dihydro-1H-indene-4-sulfinate
CID 122544445

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
The IUPAC name of (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid (CID 174959482) is (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid.
What is the SMILES notation for (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
The canonical SMILES for (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid is O=S(O)Cc1ccc(F)c2c1C(O)CC2.
What is the InChIKey of (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
The InChIKey is FSYXHCPEOKCFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-8-3-1-6(5-15(13)14)10-7(8)2-4-9(10)12/h1,3,9,12H,2,4-5H2,(H,13,14).
What are the key properties of (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid has a molecular weight of 230.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid is sourced from PubChem (CID 174959482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).