4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

C9H15F4NO3S — CID 58450198

IUPAC4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C(F)(F)F)C1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H15F4NO3S/c1-17-7(9(11,12)13)8(10)3-5-14(6-4-8)18(2,15)16/h7H,3-6H2,1-2H3
InChIKeyFSUSZMUGYHDMCM-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.33
Rot. Bonds3

About 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (PubChem CID 58450198) has the molecular formula C9H15F4NO3S and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
PubChem CID58450198
Molecular FormulaC9H15F4NO3S
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C(F)(F)F)C1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H15F4NO3S/c1-17-7(9(11,12)13)8(10)3-5-14(6-4-8)18(2,15)16/h7H,3-6H2,1-2H3
InChIKeyFSUSZMUGYHDMCM-UHFFFAOYSA-N
XLogP1.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The IUPAC name of 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (CID 58450198) is 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.
What is the SMILES notation for 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The canonical SMILES for 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is COC(C(F)(F)F)C1(F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The InChIKey is FSUSZMUGYHDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO3S/c1-17-7(9(11,12)13)8(10)3-5-14(6-4-8)18(2,15)16/h7H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine has a molecular weight of 293.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is sourced from PubChem (CID 58450198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).