N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide

C9H12F7NOS — CID 21235246

IUPACN,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NOS/c1-3-17(4-2)6(18)5-19-9(15,16)7(10,11)8(12,13)14/h3-5H2,1-2H3
InChIKeyHOZOBLREEAZOMN-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.38
Rot. Bonds6

About N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide

N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide (PubChem CID 21235246) has the molecular formula C9H12F7NOS and a molecular weight of 315.25 g/mol. Its IUPAC name is N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
PubChem CID21235246
Molecular FormulaC9H12F7NOS
Molecular Weight315.25 g/mol
Exact Mass315.05
IUPAC NameN,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NOS/c1-3-17(4-2)6(18)5-19-9(15,16)7(10,11)8(12,13)14/h3-5H2,1-2H3
InChIKeyHOZOBLREEAZOMN-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
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 N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide (CID 21235246) is N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide is CCN(CC)C(=O)CSC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide?
The InChIKey is HOZOBLREEAZOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F7NOS/c1-3-17(4-2)6(18)5-19-9(15,16)7(10,11)8(12,13)14/h3-5H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide?
N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide has a molecular weight of 315.25 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide is sourced from PubChem (CID 21235246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).