2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide

C8H10F5NOS — CID 106433397

IUPAC2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NOS/c1-2-4-16-5-3-14-6(15)7(9,10)8(11,12)13/h2H,1,3-5H2,(H,14,15)
InChIKeyYDWBGZNJAINQJT-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.22
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide

2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide (PubChem CID 106433397) has the molecular formula C8H10F5NOS and a molecular weight of 263.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide
PubChem CID106433397
Molecular FormulaC8H10F5NOS
Molecular Weight263.23 g/mol
Exact Mass263.04
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NOS/c1-2-4-16-5-3-14-6(15)7(9,10)8(11,12)13/h2H,1,3-5H2,(H,14,15)
InChIKeyYDWBGZNJAINQJT-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide (CID 106433397) is 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide is C=CCSCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide?
The InChIKey is YDWBGZNJAINQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NOS/c1-2-4-16-5-3-14-6(15)7(9,10)8(11,12)13/h2H,1,3-5H2,(H,14,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-prop-2-enylsulfanylethyl)propanamide has a molecular weight of 263.23 g/mol, XLogP of 2.22, 6 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-prop-2-enylsulfanylethyl)propanamide is sourced from PubChem (CID 106433397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).