1-tert-butylsulfinyl-3-fluoropyrrolidine

C8H16FNOS — CID 146669682

IUPAC1-tert-butylsulfinyl-3-fluoropyrrolidine
SMILESCC(C)(C)S(=O)N1CCC(F)C1
InChIInChI=1S/C8H16FNOS/c1-8(2,3)12(11)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3
InChIKeyMUVDTCJIICKKMY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.49
Rot. Bonds1

About 1-tert-butylsulfinyl-3-fluoropyrrolidine

1-tert-butylsulfinyl-3-fluoropyrrolidine (PubChem CID 146669682) has the molecular formula C8H16FNOS and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-tert-butylsulfinyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-tert-butylsulfinyl-3-fluoropyrrolidine
PubChem CID146669682
Molecular FormulaC8H16FNOS
Molecular Weight193.29 g/mol
Exact Mass193.09
IUPAC Name1-tert-butylsulfinyl-3-fluoropyrrolidine
SMILESCC(C)(C)S(=O)N1CCC(F)C1
InChIInChI=1S/C8H16FNOS/c1-8(2,3)12(11)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3
InChIKeyMUVDTCJIICKKMY-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinyl-3-fluoropyrrolidine?
The IUPAC name of 1-tert-butylsulfinyl-3-fluoropyrrolidine (CID 146669682) is 1-tert-butylsulfinyl-3-fluoropyrrolidine.
What is the SMILES notation for 1-tert-butylsulfinyl-3-fluoropyrrolidine?
The canonical SMILES for 1-tert-butylsulfinyl-3-fluoropyrrolidine is CC(C)(C)S(=O)N1CCC(F)C1.
What is the InChIKey of 1-tert-butylsulfinyl-3-fluoropyrrolidine?
The InChIKey is MUVDTCJIICKKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS/c1-8(2,3)12(11)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 1-tert-butylsulfinyl-3-fluoropyrrolidine?
1-tert-butylsulfinyl-3-fluoropyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinyl-3-fluoropyrrolidine is sourced from PubChem (CID 146669682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).