(2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine

C11H13F2NOS — CID 68785431

IUPAC(2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine
SMILESO=S(c1ccc(F)cc1)N1CCC[C@@H]1CF
InChIInChI=1S/C11H13F2NOS/c12-8-10-2-1-7-14(10)16(15)11-5-3-9(13)4-6-11/h3-6,10H,1-2,7-8H2/t10-,16?/m1/s1
InChIKeyBIBNORCALYEQCD-HQNRFAHOSA-N
MW245.29 g/mol
LogP2.28
Rot. Bonds3

About (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine

(2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine (PubChem CID 68785431) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine
PubChem CID68785431
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC Name(2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine
SMILESO=S(c1ccc(F)cc1)N1CCC[C@@H]1CF
InChIInChI=1S/C11H13F2NOS/c12-8-10-2-1-7-14(10)16(15)11-5-3-9(13)4-6-11/h3-6,10H,1-2,7-8H2/t10-,16?/m1/s1
InChIKeyBIBNORCALYEQCD-HQNRFAHOSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine?
The IUPAC name of (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine (CID 68785431) is (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine.
What is the SMILES notation for (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine?
The canonical SMILES for (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine is O=S(c1ccc(F)cc1)N1CCC[C@@H]1CF.
What is the InChIKey of (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine?
The InChIKey is BIBNORCALYEQCD-HQNRFAHOSA-N. The full InChI is InChI=1S/C11H13F2NOS/c12-8-10-2-1-7-14(10)16(15)11-5-3-9(13)4-6-11/h3-6,10H,1-2,7-8H2/t10-,16?/m1/s1.
What are the key properties of (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine?
(2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine has a molecular weight of 245.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(fluoromethyl)-1-(4-fluorophenyl)sulfinylpyrrolidine is sourced from PubChem (CID 68785431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).