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

C10H11FO2S — CID 174959439

IUPAC2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid
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)
InChIKeySZKUJTOBMZXYTF-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.37
Rot. Bonds2

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

2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid (PubChem CID 174959439) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid
PubChem CID174959439
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid
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)
InChIKeySZKUJTOBMZXYTF-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinate
CID 174959438
fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
CID 174959476
5-(difluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 159912774
(2R)-2-amino-2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 130783768
2,2-dibromo-1-(2,3-dihydro-1H-inden-4-yl)ethanone
CID 87520921
(1S)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-amine
CID 130644887
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 165121353
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
5-ethyl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indene
CID 178128583

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid (CID 174959439) is 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid is O=S(O)C(F)c1cccc2c1CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid?
The InChIKey is SZKUJTOBMZXYTF-UHFFFAOYSA-N. 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).
What are the key properties of 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid?
2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid has a molecular weight of 214.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl(fluoro)methanesulfinic acid is sourced from PubChem (CID 174959439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).