1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine

C12H16FNS — CID 144826165

IUPAC1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1Sc1ccc(F)cc1
InChIInChI=1S/C12H16FNS/c1-12(2)8-3-9-14(12)15-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyMNFLYLVGYIVWFV-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.71
Rot. Bonds2

About 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine

1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine (PubChem CID 144826165) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine
PubChem CID144826165
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine
SMILESCC1(C)CCCN1Sc1ccc(F)cc1
InChIInChI=1S/C12H16FNS/c1-12(2)8-3-9-14(12)15-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyMNFLYLVGYIVWFV-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine (CID 144826165) is 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine is CC1(C)CCCN1Sc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine?
The InChIKey is MNFLYLVGYIVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-12(2)8-3-9-14(12)15-11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine?
1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine has a molecular weight of 225.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 144826165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).