(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine

C14H20FNOS — CID 67329832

IUPAC(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine
SMILESCC(C)CS(=O)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-11(2)10-18(17)16-9-3-4-14(16)12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3/t14-,18?/m1/s1
InChIKeyIMIPSBFXVJQHAO-IKJXHCRLSA-N
MW269.38 g/mol
LogP3.28
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine

(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine (PubChem CID 67329832) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine
PubChem CID67329832
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine
SMILESCC(C)CS(=O)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-11(2)10-18(17)16-9-3-4-14(16)12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3/t14-,18?/m1/s1
InChIKeyIMIPSBFXVJQHAO-IKJXHCRLSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine (CID 67329832) is (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine is CC(C)CS(=O)N1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine?
The InChIKey is IMIPSBFXVJQHAO-IKJXHCRLSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-11(2)10-18(17)16-9-3-4-14(16)12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine?
(2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine has a molecular weight of 269.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-1-(2-methylpropylsulfinyl)pyrrolidine is sourced from PubChem (CID 67329832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).