N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide

C6H10F5NO2S — CID 165009901

IUPACN-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCC(F)(F)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F5NO2S/c1-2-3-5(7,8)4-12-15(13,14)6(9,10)11/h12H,2-4H2,1H3
InChIKeyOSACAHDWKGSGJH-UHFFFAOYSA-N
MW255.21 g/mol
LogP1.86
Rot. Bonds5

About N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide

N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 165009901) has the molecular formula C6H10F5NO2S and a molecular weight of 255.21 g/mol. Its IUPAC name is N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID165009901
Molecular FormulaC6H10F5NO2S
Molecular Weight255.21 g/mol
Exact Mass255.04
IUPAC NameN-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCC(F)(F)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F5NO2S/c1-2-3-5(7,8)4-12-15(13,14)6(9,10)11/h12H,2-4H2,1H3
InChIKeyOSACAHDWKGSGJH-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide (CID 165009901) is N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide is CCCC(F)(F)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is OSACAHDWKGSGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO2S/c1-2-3-5(7,8)4-12-15(13,14)6(9,10)11/h12H,2-4H2,1H3.
What are the key properties of N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 255.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropentyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 165009901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).