4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid

C13H15F4NO3S — CID 11544657

IUPAC4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C11H14FNOS.C2HF3O2/c12-9-1-3-10(4-2-9)15(14)11-5-7-13-8-6-11;3-2(4,5)1(6)7/h1-4,11,13H,5-8H2;(H,6,7)
InChIKeyRRUXSYUVNFHPNI-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.32
Rot. Bonds2

About 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid

4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 11544657) has the molecular formula C13H15F4NO3S and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID11544657
Molecular FormulaC13H15F4NO3S
Molecular Weight341.33 g/mol
Exact Mass341.07
IUPAC Name4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(c1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C11H14FNOS.C2HF3O2/c12-9-1-3-10(4-2-9)15(14)11-5-7-13-8-6-11;3-2(4,5)1(6)7/h1-4,11,13H,5-8H2;(H,6,7)
InChIKeyRRUXSYUVNFHPNI-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid (CID 11544657) is 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(c1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is RRUXSYUVNFHPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS.C2HF3O2/c12-9-1-3-10(4-2-9)15(14)11-5-7-13-8-6-11;3-2(4,5)1(6)7/h1-4,11,13H,5-8H2;(H,6,7).
What are the key properties of 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid?
4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 341.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfinylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11544657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).