1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine

C11H13ClFNOS — CID 68782012

IUPAC1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine
SMILESO=S(c1ccc(Cl)cc1)N1CCCC(F)C1
InChIInChI=1S/C11H13ClFNOS/c12-9-3-5-11(6-4-9)16(15)14-7-1-2-10(13)8-14/h3-6,10H,1-2,7-8H2
InChIKeyDQWCWKVCNFRFAG-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine

1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine (PubChem CID 68782012) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine
PubChem CID68782012
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine
SMILESO=S(c1ccc(Cl)cc1)N1CCCC(F)C1
InChIInChI=1S/C11H13ClFNOS/c12-9-3-5-11(6-4-9)16(15)14-7-1-2-10(13)8-14/h3-6,10H,1-2,7-8H2
InChIKeyDQWCWKVCNFRFAG-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine (CID 68782012) is 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine is O=S(c1ccc(Cl)cc1)N1CCCC(F)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine?
The InChIKey is DQWCWKVCNFRFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNOS/c12-9-3-5-11(6-4-9)16(15)14-7-1-2-10(13)8-14/h3-6,10H,1-2,7-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine?
1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine has a molecular weight of 261.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine is sourced from PubChem (CID 68782012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).