2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide

C8H13F4NOS — CID 103733740

IUPAC2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NOS/c1-5(4-15-2)3-13-7(14)8(11,12)6(9)10/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyODACBORMKRGBCJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.00
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide

2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide (PubChem CID 103733740) has the molecular formula C8H13F4NOS and a molecular weight of 247.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide
PubChem CID103733740
Molecular FormulaC8H13F4NOS
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H13F4NOS/c1-5(4-15-2)3-13-7(14)8(11,12)6(9)10/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyODACBORMKRGBCJ-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide (CID 103733740) is 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide is CSCC(C)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
The InChIKey is ODACBORMKRGBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NOS/c1-5(4-15-2)3-13-7(14)8(11,12)6(9)10/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide has a molecular weight of 247.26 g/mol, XLogP of 2.00, 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-tetrafluoro-N-(2-methyl-3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 103733740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).