1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine

C12H14F3NOS — CID 86065982

IUPAC1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine
SMILESO=S(c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)10-6-2-3-7-11(10)18(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2
InChIKeyWWLBGCIUEMRKNJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.21
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine

1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine (PubChem CID 86065982) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine
PubChem CID86065982
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine
SMILESO=S(c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)10-6-2-3-7-11(10)18(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2
InChIKeyWWLBGCIUEMRKNJ-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine (CID 86065982) is 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine is O=S(c1ccccc1C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine?
The InChIKey is WWLBGCIUEMRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)10-6-2-3-7-11(10)18(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine?
1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine has a molecular weight of 277.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]sulfinylpiperidine is sourced from PubChem (CID 86065982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).