ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid

C14H22FNO3S — CID 144826580

IUPACethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid
SMILESCC.CC1CCCN1S(=O)c1ccc(F)cc1.O=CO
InChIInChI=1S/C11H14FNOS.C2H6.CH2O2/c1-9-3-2-8-13(9)15(14)11-6-4-10(12)5-7-11;1-2;2-1-3/h4-7,9H,2-3,8H2,1H3;1-2H3;1H,(H,2,3)
InChIKeyALTGCFJJLIYTPZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.06
Rot. Bonds2

About ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid

ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid (PubChem CID 144826580) has the molecular formula C14H22FNO3S and a molecular weight of 303.40 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid
PubChem CID144826580
Molecular FormulaC14H22FNO3S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Nameethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid
SMILESCC.CC1CCCN1S(=O)c1ccc(F)cc1.O=CO
InChIInChI=1S/C11H14FNOS.C2H6.CH2O2/c1-9-3-2-8-13(9)15(14)11-6-4-10(12)5-7-11;1-2;2-1-3/h4-7,9H,2-3,8H2,1H3;1-2H3;1H,(H,2,3)
InChIKeyALTGCFJJLIYTPZ-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid?
The IUPAC name of ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid (CID 144826580) is ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid.
What is the SMILES notation for ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid?
The canonical SMILES for ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid is CC.CC1CCCN1S(=O)c1ccc(F)cc1.O=CO.
What is the InChIKey of ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid?
The InChIKey is ALTGCFJJLIYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS.C2H6.CH2O2/c1-9-3-2-8-13(9)15(14)11-6-4-10(12)5-7-11;1-2;2-1-3/h4-7,9H,2-3,8H2,1H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid?
ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid has a molecular weight of 303.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)sulfinyl-2-methylpyrrolidine;formic acid is sourced from PubChem (CID 144826580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).