2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate

C10H10FO2S- — CID 174959438

IUPAC2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate
SMILESO=S([O-])C(F)c1cccc2c1CCC2
InChIInChI=1S/C10H11FO2S/c11-10(14(12)13)9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2,(H,12,13)/p-1
InChIKeySZKUJTOBMZXYTF-UHFFFAOYSA-M
MW213.25 g/mol
LogP2.02
Rot. Bonds2

About 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate

2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate (PubChem CID 174959438) has the molecular formula C10H10FO2S- and a molecular weight of 213.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate
PubChem CID174959438
Molecular FormulaC10H10FO2S-
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate
SMILESO=S([O-])C(F)c1cccc2c1CCC2
InChIInChI=1S/C10H11FO2S/c11-10(14(12)13)9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2,(H,12,13)/p-1
InChIKeySZKUJTOBMZXYTF-UHFFFAOYSA-M
XLogP2.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate (CID 174959438) is 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate is O=S([O-])C(F)c1cccc2c1CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate?
The InChIKey is SZKUJTOBMZXYTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11FO2S/c11-10(14(12)13)9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2,(H,12,13)/p-1.
What are the key properties of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate?
2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate has a molecular weight of 213.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate is sourced from PubChem (CID 174959438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).