2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide

C4H4F5NOS — CID 162542667

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide
SMILESNC(=O)CSC(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NOS/c5-3(6,7)4(8,9)12-1-2(10)11/h1H2,(H2,10,11)
InChIKeyMDHUVGVYIQTQLC-UHFFFAOYSA-N
MW209.14 g/mol
LogP1.36
Rot. Bonds3

About 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide

2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide (PubChem CID 162542667) has the molecular formula C4H4F5NOS and a molecular weight of 209.14 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide
PubChem CID162542667
Molecular FormulaC4H4F5NOS
Molecular Weight209.14 g/mol
Exact Mass208.99
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide
SMILESNC(=O)CSC(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NOS/c5-3(6,7)4(8,9)12-1-2(10)11/h1H2,(H2,10,11)
InChIKeyMDHUVGVYIQTQLC-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethylsulfanyl)acetamide
CID 54095532
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158479
S-(2-amino-2-oxoethyl) ethanethioate
CID 5108277
S-(2-amino-2-oxoethyl) methanethioate
CID 89207904
2-(2,2,3,3,3-pentafluoropropoxy)acetamide
CID 103725375
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide
CID 139724193
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 43134958
3,3,3-trifluoropropanamide;trimethylsilane
CID 174372455
3,4,4,4-tetrafluorobutanamide
CID 143771998
1-(1,1,2,2,2-pentafluoroethylsulfanyl)butane
CID 11506712
2-(trifluoromethylsulfonyl)acetamide;hydrochloride
CID 161366579
tert-butyl (2-amino-2-oxoethyl)sulfanylformate
CID 174594780

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide (CID 162542667) is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide is NC(=O)CSC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide?
The InChIKey is MDHUVGVYIQTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NOS/c5-3(6,7)4(8,9)12-1-2(10)11/h1H2,(H2,10,11).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide?
2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide has a molecular weight of 209.14 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)acetamide is sourced from PubChem (CID 162542667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).