2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide

C11H16F7NOS — CID 21235247

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7NOS/c1-3-5-19(6-4-2)8(20)7-21-11(17,18)9(12,13)10(14,15)16/h3-7H2,1-2H3
InChIKeyBLNSDRXEZQKTNG-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.16
Rot. Bonds8

About 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide

2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide (PubChem CID 21235247) has the molecular formula C11H16F7NOS and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide
PubChem CID21235247
Molecular FormulaC11H16F7NOS
Molecular Weight343.31 g/mol
Exact Mass343.08
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7NOS/c1-3-5-19(6-4-2)8(20)7-21-11(17,18)9(12,13)10(14,15)16/h3-7H2,1-2H3
InChIKeyBLNSDRXEZQKTNG-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.16
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 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide (CID 21235247) is 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide?
The InChIKey is BLNSDRXEZQKTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7NOS/c1-3-5-19(6-4-2)8(20)7-21-11(17,18)9(12,13)10(14,15)16/h3-7H2,1-2H3.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide?
2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide has a molecular weight of 343.31 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide is sourced from PubChem (CID 21235247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).