1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine

C17H18FNS — CID 168513198

IUPAC1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine
SMILESFc1ccc(CSc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C17H18FNS/c18-15-9-7-14(8-10-15)13-20-17-6-2-1-5-16(17)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2
InChIKeyKYSVEBULWSCZIO-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.72
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine

1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine (PubChem CID 168513198) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine
PubChem CID168513198
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine
SMILESFc1ccc(CSc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C17H18FNS/c18-15-9-7-14(8-10-15)13-20-17-6-2-1-5-16(17)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2
InChIKeyKYSVEBULWSCZIO-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 726142
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
1-[2-fluoro-4-(3-methylbutyl)phenyl]pyrrolidine
CID 146275660
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
CID 65491729
2-(4-fluorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4256420
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine (CID 168513198) is 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine is Fc1ccc(CSc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine?
The InChIKey is KYSVEBULWSCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-15-9-7-14(8-10-15)13-20-17-6-2-1-5-16(17)19-11-3-4-12-19/h1-2,5-10H,3-4,11-13H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine?
1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine has a molecular weight of 287.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine is sourced from PubChem (CID 168513198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).