4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one

C10H7F4NOS — CID 168709690

IUPAC4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(S)CN1c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H7F4NOS/c11-5-2-6(12)9(14)10(8(5)13)15-3-4(17)1-7(15)16/h2,4,17H,1,3H2
InChIKeyJSBFNROPIPKPPC-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.28
Rot. Bonds1

About 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one

4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one (PubChem CID 168709690) has the molecular formula C10H7F4NOS and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one
PubChem CID168709690
Molecular FormulaC10H7F4NOS
Molecular Weight265.23 g/mol
Exact Mass265.02
IUPAC Name4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(S)CN1c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H7F4NOS/c11-5-2-6(12)9(14)10(8(5)13)15-3-4(17)1-7(15)16/h2,4,17H,1,3H2
InChIKeyJSBFNROPIPKPPC-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709708
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(2-bromo-4-fluoro-6-methylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709024
1-(2-amino-5-bromo-3-fluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710377
3-chloro-5-fluoro-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709647
3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
CID 107647388
1-(4-bromo-2,3-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710062
1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710105
1-[2,6-di(propan-2-yl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708084
1-(2-amino-3-bromo-5-fluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710452
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one (CID 168709690) is 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one is O=C1CC(S)CN1c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one?
The InChIKey is JSBFNROPIPKPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NOS/c11-5-2-6(12)9(14)10(8(5)13)15-3-4(17)1-7(15)16/h2,4,17H,1,3H2.
What are the key properties of 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one?
4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one has a molecular weight of 265.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-1-(2,3,5,6-tetrafluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168709690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).