2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide

C8H14F3NO2S — CID 170416754

IUPAC2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide
SMILESCC(C)C1(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-6(2)7(3-4-7)12-15(13,14)5-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyPXFBVBMLXQWVND-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.66
Rot. Bonds4

About 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide

2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide (PubChem CID 170416754) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide
PubChem CID170416754
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide
SMILESCC(C)C1(NS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-6(2)7(3-4-7)12-15(13,14)5-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyPXFBVBMLXQWVND-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide (CID 170416754) is 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide is CC(C)C1(NS(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide?
The InChIKey is PXFBVBMLXQWVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-6(2)7(3-4-7)12-15(13,14)5-8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide?
2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide is sourced from PubChem (CID 170416754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).