4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide

C8H12F5NO2S — CID 166826437

IUPAC4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCSOCC(F)(F)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c1-17-16-5-7(9,10)3-2-6(15)14-4-8(11,12)13/h2-5H2,1H3,(H,14,15)
InChIKeyFLCILNWLZBYTSR-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.38
Rot. Bonds7

About 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide

4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 166826437) has the molecular formula C8H12F5NO2S and a molecular weight of 281.25 g/mol. Its IUPAC name is 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID166826437
Molecular FormulaC8H12F5NO2S
Molecular Weight281.25 g/mol
Exact Mass281.05
IUPAC Name4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCSOCC(F)(F)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c1-17-16-5-7(9,10)3-2-6(15)14-4-8(11,12)13/h2-5H2,1H3,(H,14,15)
InChIKeyFLCILNWLZBYTSR-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 166826437) is 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide is CSOCC(F)(F)CCC(=O)NCC(F)(F)F.
What is the InChIKey of 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is FLCILNWLZBYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO2S/c1-17-16-5-7(9,10)3-2-6(15)14-4-8(11,12)13/h2-5H2,1H3,(H,14,15).
What are the key properties of 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide?
4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 281.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 166826437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).