1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide

C7H12F4N2O2S — CID 22040246

IUPAC1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(F)CCNCC1)C(F)(F)F
InChIInChI=1S/C7H12F4N2O2S/c8-6(1-3-12-4-2-6)5-13-16(14,15)7(9,10)11/h12-13H,1-5H2
InChIKeyZAYMBWTVBIMRFI-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.52
Rot. Bonds3

About 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 22040246) has the molecular formula C7H12F4N2O2S and a molecular weight of 264.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide
PubChem CID22040246
Molecular FormulaC7H12F4N2O2S
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1(F)CCNCC1)C(F)(F)F
InChIInChI=1S/C7H12F4N2O2S/c8-6(1-3-12-4-2-6)5-13-16(14,15)7(9,10)11/h12-13H,1-5H2
InChIKeyZAYMBWTVBIMRFI-UHFFFAOYSA-N
XLogP0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide (CID 22040246) is 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide is O=S(=O)(NCC1(F)CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is ZAYMBWTVBIMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O2S/c8-6(1-3-12-4-2-6)5-13-16(14,15)7(9,10)11/h12-13H,1-5H2.
What are the key properties of 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 264.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 22040246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).