3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride

C14H20Cl2FNO2S — CID 174919101

IUPAC3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride
SMILESCCC(c1ccccc1F)C1CCCNC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C14H20FN.Cl2O2S/c1-2-12(11-6-5-9-16-10-11)13-7-3-4-8-14(13)15;1-5(2,3)4/h3-4,7-8,11-12,16H,2,5-6,9-10H2,1H3;
InChIKeyGHXIJBZGVNQTQY-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.03
Rot. Bonds3

About 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride

3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride (PubChem CID 174919101) has the molecular formula C14H20Cl2FNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride
PubChem CID174919101
Molecular FormulaC14H20Cl2FNO2S
Molecular Weight356.29 g/mol
Exact Mass355.06
IUPAC Name3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride
SMILESCCC(c1ccccc1F)C1CCCNC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C14H20FN.Cl2O2S/c1-2-12(11-6-5-9-16-10-11)13-7-3-4-8-14(13)15;1-5(2,3)4/h3-4,7-8,11-12,16H,2,5-6,9-10H2,1H3;
InChIKeyGHXIJBZGVNQTQY-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride?
The IUPAC name of 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride (CID 174919101) is 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride?
The canonical SMILES for 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride is CCC(c1ccccc1F)C1CCCNC1.O=S(=O)(Cl)Cl.
What is the InChIKey of 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride?
The InChIKey is GHXIJBZGVNQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN.Cl2O2S/c1-2-12(11-6-5-9-16-10-11)13-7-3-4-8-14(13)15;1-5(2,3)4/h3-4,7-8,11-12,16H,2,5-6,9-10H2,1H3;.
What are the key properties of 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride?
3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride has a molecular weight of 356.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propyl]piperidine;sulfuryl dichloride is sourced from PubChem (CID 174919101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).