N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide

C12H21F4NO5S2 — CID 58100574

IUPACN,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide
SMILESCCCCN(CCCC)C(=O)C(F)S(=O)(=O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H21F4NO5S2/c1-3-5-7-17(8-6-4-2)11(18)10(13)23(19,20)9-24(21,22)12(14,15)16/h10H,3-9H2,1-2H3
InChIKeyOHBNMVMBTLZFQM-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.02
Rot. Bonds10

About N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide

N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide (PubChem CID 58100574) has the molecular formula C12H21F4NO5S2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide
PubChem CID58100574
Molecular FormulaC12H21F4NO5S2
Molecular Weight399.43 g/mol
Exact Mass399.08
IUPAC NameN,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide
SMILESCCCCN(CCCC)C(=O)C(F)S(=O)(=O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H21F4NO5S2/c1-3-5-7-17(8-6-4-2)11(18)10(13)23(19,20)9-24(21,22)12(14,15)16/h10H,3-9H2,1-2H3
InChIKeyOHBNMVMBTLZFQM-UHFFFAOYSA-N
XLogP2.02
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide?
The IUPAC name of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide (CID 58100574) is N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide?
The canonical SMILES for N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide is CCCCN(CCCC)C(=O)C(F)S(=O)(=O)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide?
The InChIKey is OHBNMVMBTLZFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO5S2/c1-3-5-7-17(8-6-4-2)11(18)10(13)23(19,20)9-24(21,22)12(14,15)16/h10H,3-9H2,1-2H3.
What are the key properties of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide?
N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide has a molecular weight of 399.43 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylmethylsulfonyl)acetamide is sourced from PubChem (CID 58100574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).