1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol

C11H14FNO4S — CID 106672467

IUPAC1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CC(O)C(O)C1
InChIInChI=1S/C11H14FNO4S/c12-9-3-1-8(2-4-9)7-18(16,17)13-5-10(14)11(15)6-13/h1-4,10-11,14-15H,5-7H2
InChIKeyORZSVVJCJWSHSO-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.31
Rot. Bonds3

About 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol

1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol (PubChem CID 106672467) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol
PubChem CID106672467
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CC(O)C(O)C1
InChIInChI=1S/C11H14FNO4S/c12-9-3-1-8(2-4-9)7-18(16,17)13-5-10(14)11(15)6-13/h1-4,10-11,14-15H,5-7H2
InChIKeyORZSVVJCJWSHSO-UHFFFAOYSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol (CID 106672467) is 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol is O=S(=O)(Cc1ccc(F)cc1)N1CC(O)C(O)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol?
The InChIKey is ORZSVVJCJWSHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c12-9-3-1-8(2-4-9)7-18(16,17)13-5-10(14)11(15)6-13/h1-4,10-11,14-15H,5-7H2.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol?
1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol has a molecular weight of 275.30 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).