2-(3,3,3-trifluoropropylsulfinyl)acetamide

C5H8F3NO2S — CID 87340364

IUPAC2-(3,3,3-trifluoropropylsulfinyl)acetamide
SMILESNC(=O)CS(=O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)1-2-12(11)3-4(9)10/h1-3H2,(H2,9,10)
InChIKeyTZYIUELOVNAKKA-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.17
Rot. Bonds4

About 2-(3,3,3-trifluoropropylsulfinyl)acetamide

2-(3,3,3-trifluoropropylsulfinyl)acetamide (PubChem CID 87340364) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylsulfinyl)acetamide.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylsulfinyl)acetamide
PubChem CID87340364
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name2-(3,3,3-trifluoropropylsulfinyl)acetamide
SMILESNC(=O)CS(=O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)1-2-12(11)3-4(9)10/h1-3H2,(H2,9,10)
InChIKeyTZYIUELOVNAKKA-UHFFFAOYSA-N
XLogP0.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-oxoethyl)sulfinylacetic acid
CID 19373177
2-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]acetic acid
CID 61490342
2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine
CID 124512898
3,3,3-trifluoropropyl carbamate
CID 3768992
2-benzylsulfinylacetamide;ethane
CID 91390108
1-ethynyl-4-(3,3,3-trifluoropropylsulfinylmethyl)cyclohexane
CID 59378313
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
3-[3-(3,3,3-trifluoropropylsulfinyl)propylamino]butan-2-ol
CID 154318459
3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
CID 58684156
2-[2-(trifluoromethylsulfanyl)ethylsulfinyl]acetic acid
CID 116617198
3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylpropanoic acid
CID 61492576
methyl 3-(3,3,3-trifluoropropylsulfinyl)butanoate
CID 66115994

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylsulfinyl)acetamide?
The IUPAC name of 2-(3,3,3-trifluoropropylsulfinyl)acetamide (CID 87340364) is 2-(3,3,3-trifluoropropylsulfinyl)acetamide.
What is the SMILES notation for 2-(3,3,3-trifluoropropylsulfinyl)acetamide?
The canonical SMILES for 2-(3,3,3-trifluoropropylsulfinyl)acetamide is NC(=O)CS(=O)CCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylsulfinyl)acetamide?
The InChIKey is TZYIUELOVNAKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)1-2-12(11)3-4(9)10/h1-3H2,(H2,9,10).
What are the key properties of 2-(3,3,3-trifluoropropylsulfinyl)acetamide?
2-(3,3,3-trifluoropropylsulfinyl)acetamide has a molecular weight of 203.18 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylsulfinyl)acetamide is sourced from PubChem (CID 87340364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).