N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide

C11H20F3NOS — CID 112822249

IUPACN-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide
SMILESCCCCN(C(=O)CSC(F)(F)F)C(C)CC
InChIInChI=1S/C11H20F3NOS/c1-4-6-7-15(9(3)5-2)10(16)8-17-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyUOIXOBDNNBBEFR-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.67
Rot. Bonds7

About N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide

N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 112822249) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID112822249
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC NameN-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide
SMILESCCCCN(C(=O)CSC(F)(F)F)C(C)CC
InChIInChI=1S/C11H20F3NOS/c1-4-6-7-15(9(3)5-2)10(16)8-17-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyUOIXOBDNNBBEFR-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide (CID 112822249) is N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide is CCCCN(C(=O)CSC(F)(F)F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is UOIXOBDNNBBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-4-6-7-15(9(3)5-2)10(16)8-17-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide?
N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 271.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 112822249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).