N,N-dibutyl-2,2,2-trifluoroethanesulfonamide

C10H20F3NO2S — CID 89281446

IUPACN,N-dibutyl-2,2,2-trifluoroethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-5-7-14(8-6-4-2)17(15,16)9-10(11,12)13/h3-9H2,1-2H3
InChIKeyFVJYAKXRNHEULP-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.78
Rot. Bonds8

About N,N-dibutyl-2,2,2-trifluoroethanesulfonamide

N,N-dibutyl-2,2,2-trifluoroethanesulfonamide (PubChem CID 89281446) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N,N-dibutyl-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2,2,2-trifluoroethanesulfonamide
PubChem CID89281446
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN,N-dibutyl-2,2,2-trifluoroethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-5-7-14(8-6-4-2)17(15,16)9-10(11,12)13/h3-9H2,1-2H3
InChIKeyFVJYAKXRNHEULP-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N,N-dibutyl-2,2,2-trifluoroethanesulfonamide (CID 89281446) is N,N-dibutyl-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N,N-dibutyl-2,2,2-trifluoroethanesulfonamide is CCCCN(CCCC)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of N,N-dibutyl-2,2,2-trifluoroethanesulfonamide?
The InChIKey is FVJYAKXRNHEULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-3-5-7-14(8-6-4-2)17(15,16)9-10(11,12)13/h3-9H2,1-2H3.
What are the key properties of N,N-dibutyl-2,2,2-trifluoroethanesulfonamide?
N,N-dibutyl-2,2,2-trifluoroethanesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 89281446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).