2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

C6H5F8NOS — CID 106433423

IUPAC2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESO=C(NCCSC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F8NOS/c7-4(8,5(9,10)11)3(16)15-1-2-17-6(12,13)14/h1-2H2,(H,15,16)
InChIKeyFZYRVZCGDYSQIA-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.55
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 106433423) has the molecular formula C6H5F8NOS and a molecular weight of 291.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID106433423
Molecular FormulaC6H5F8NOS
Molecular Weight291.16 g/mol
Exact Mass291.00
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESO=C(NCCSC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F8NOS/c7-4(8,5(9,10)11)3(16)15-1-2-17-6(12,13)14/h1-2H2,(H,15,16)
InChIKeyFZYRVZCGDYSQIA-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]acetic acid
CID 104767653
3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 119291648
2-(trifluoromethylsulfanyl)ethylthiourea
CID 106427135
N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
CID 140860233
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 120588992
N-[2-(trifluoromethylsulfanyl)ethyl]azepane-1-carboxamide
CID 113225960
3-chloro-N-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]propanamide
CID 106431805
2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
CID 2851781
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 113228177
3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248
4-methyl-5-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]pentanoic acid
CID 106431579
N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 116615399

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 106433423) is 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is O=C(NCCSC(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is FZYRVZCGDYSQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F8NOS/c7-4(8,5(9,10)11)3(16)15-1-2-17-6(12,13)14/h1-2H2,(H,15,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 291.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 106433423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).