1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine

C19H20F3NOS — CID 44511384

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine
SMILESO=S(c1ccc([18F])cc1)C1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F3NOS/c20-15-3-5-17(6-4-15)25(24)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2/i20-1
InChIKeyZATDWZVFWZZXSN-LRFGSCOBSA-N
MW366.44 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine

1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine (PubChem CID 44511384) has the molecular formula C19H20F3NOS and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine
PubChem CID44511384
Molecular FormulaC19H20F3NOS
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine
SMILESO=S(c1ccc([18F])cc1)C1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F3NOS/c20-15-3-5-17(6-4-15)25(24)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2/i20-1
InChIKeyZATDWZVFWZZXSN-LRFGSCOBSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine (CID 44511384) is 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine is O=S(c1ccc([18F])cc1)C1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine?
The InChIKey is ZATDWZVFWZZXSN-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H20F3NOS/c20-15-3-5-17(6-4-15)25(24)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2/i20-1.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine?
1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine has a molecular weight of 366.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfinylpiperidine is sourced from PubChem (CID 44511384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).