2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide

C6H10F3NOS — CID 22464506

IUPAC2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide
SMILESCC(C)(CS)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-5(2,3-12)10-4(11)6(7,8)9/h12H,3H2,1-2H3,(H,10,11)
InChIKeyWVRUGOFFRCBIBP-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.37
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide (PubChem CID 22464506) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide
PubChem CID22464506
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide
SMILESCC(C)(CS)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-5(2,3-12)10-4(11)6(7,8)9/h12H,3H2,1-2H3,(H,10,11)
InChIKeyWVRUGOFFRCBIBP-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide (CID 22464506) is 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide is CC(C)(CS)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide?
The InChIKey is WVRUGOFFRCBIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-5(2,3-12)10-4(11)6(7,8)9/h12H,3H2,1-2H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide has a molecular weight of 201.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methyl-1-sulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 22464506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).