2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide

C7H13F3N2O3S — CID 63903656

IUPAC2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H13F3N2O3S/c1-6(2,12-16(3,14)15)4-11-5(13)7(8,9)10/h12H,4H2,1-3H3,(H,11,13)
InChIKeyCZXFSHABEZQGKU-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.01
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide

2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide (PubChem CID 63903656) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
PubChem CID63903656
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H13F3N2O3S/c1-6(2,12-16(3,14)15)4-11-5(13)7(8,9)10/h12H,4H2,1-3H3,(H,11,13)
InChIKeyCZXFSHABEZQGKU-UHFFFAOYSA-N
XLogP-0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide (CID 63903656) is 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide is CC(C)(CNC(=O)C(F)(F)F)NS(C)(=O)=O.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
The InChIKey is CZXFSHABEZQGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-6(2,12-16(3,14)15)4-11-5(13)7(8,9)10/h12H,4H2,1-3H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide?
2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide has a molecular weight of 262.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide is sourced from PubChem (CID 63903656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).