2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide

C7H10F3NOS — CID 64592249

IUPAC2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)C1CCSC1
InChIInChI=1S/C7H10F3NOS/c1-11(5-2-3-13-4-5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyBNAKMOSLKLOQBI-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.51
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide (PubChem CID 64592249) has the molecular formula C7H10F3NOS and a molecular weight of 213.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide
PubChem CID64592249
Molecular FormulaC7H10F3NOS
Molecular Weight213.22 g/mol
Exact Mass213.04
IUPAC Name2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)C1CCSC1
InChIInChI=1S/C7H10F3NOS/c1-11(5-2-3-13-4-5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyBNAKMOSLKLOQBI-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide (CID 64592249) is 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide is CN(C(=O)C(F)(F)F)C1CCSC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide?
The InChIKey is BNAKMOSLKLOQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NOS/c1-11(5-2-3-13-4-5)6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide has a molecular weight of 213.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 64592249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).