4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine

C9H16F3NOS — CID 166968000

IUPAC4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine
SMILESCC1CCN(S(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NOS/c1-8-2-5-13(6-3-8)15(14)7-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyKMAZWHYZXALLAR-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.33
Rot. Bonds3

About 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine

4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine (PubChem CID 166968000) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine
PubChem CID166968000
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine
SMILESCC1CCN(S(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NOS/c1-8-2-5-13(6-3-8)15(14)7-4-9(10,11)12/h8H,2-7H2,1H3
InChIKeyKMAZWHYZXALLAR-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine?
The IUPAC name of 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine (CID 166968000) is 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine.
What is the SMILES notation for 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine?
The canonical SMILES for 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine is CC1CCN(S(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine?
The InChIKey is KMAZWHYZXALLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-8-2-5-13(6-3-8)15(14)7-4-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine?
4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine has a molecular weight of 243.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,3-trifluoropropylsulfinyl)piperidine is sourced from PubChem (CID 166968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).