2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide

C7HF14NO3S — CID 171725734

IUPAC2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF14NO3S/c8-2(4(10,11)12,5(13,14)15)1(23)22-26(24,25)3(9,6(16,17)18)7(19,20)21/h(H,22,23)
InChIKeyYQQHXTLKVZMZCL-UHFFFAOYSA-N
MW445.13 g/mol
LogP3.06
Rot. Bonds3

About 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide

2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide (PubChem CID 171725734) has the molecular formula C7HF14NO3S and a molecular weight of 445.13 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide
PubChem CID171725734
Molecular FormulaC7HF14NO3S
Molecular Weight445.13 g/mol
Exact Mass444.95
IUPAC Name2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF14NO3S/c8-2(4(10,11)12,5(13,14)15)1(23)22-26(24,25)3(9,6(16,17)18)7(19,20)21/h(H,22,23)
InChIKeyYQQHXTLKVZMZCL-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)acetamide
CID 87267309
CID 87267100
CID 87267100
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
CID 22105014
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
N-acetylsulfamoyl chloride
CID 21043699
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
sodium;hydride;(2,2,2-trifluoroacetyl)sulfamic acid
CID 173392621
1-carbamoyl-3-(1,1,2,2,2-pentafluoroethylsulfonyl)urea
CID 174550629
2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
CID 155170790

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide (CID 171725734) is 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide is O=C(NS(=O)(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide?
The InChIKey is YQQHXTLKVZMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF14NO3S/c8-2(4(10,11)12,5(13,14)15)1(23)22-26(24,25)3(9,6(16,17)18)7(19,20)21/h(H,22,23).
What are the key properties of 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide?
2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide has a molecular weight of 445.13 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 171725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).