2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide

C5H7F4NOS — CID 106295758

IUPAC2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(CS)NCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NOS/c6-4(7)5(8,9)2-10-3(11)1-12/h4,12H,1-2H2,(H,10,11)
InChIKeyPEHGPQNHVVHQSO-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.93
Rot. Bonds4

About 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide

2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide (PubChem CID 106295758) has the molecular formula C5H7F4NOS and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
PubChem CID106295758
Molecular FormulaC5H7F4NOS
Molecular Weight205.18 g/mol
Exact Mass205.02
IUPAC Name2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(CS)NCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NOS/c6-4(7)5(8,9)2-10-3(11)1-12/h4,12H,1-2H2,(H,10,11)
InChIKeyPEHGPQNHVVHQSO-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295708
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291636
2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291856
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291855
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291709
1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
CID 106291111
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
2-amino-2-methyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
CID 106291936

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The IUPAC name of 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide (CID 106295758) is 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide.
What is the SMILES notation for 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The canonical SMILES for 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide is O=C(CS)NCC(F)(F)C(F)F.
What is the InChIKey of 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The InChIKey is PEHGPQNHVVHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NOS/c6-4(7)5(8,9)2-10-3(11)1-12/h4,12H,1-2H2,(H,10,11).
What are the key properties of 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide?
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide has a molecular weight of 205.18 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide is sourced from PubChem (CID 106295758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).