1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide

C5H8F3NO2S — CID 126844436

IUPAC1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(CC(F)(F)F)CC1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)3-4(1-2-4)12(9,10)11/h1-3H2,(H2,9,10,11)
InChIKeyZEPXAMOYSBELRA-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.76
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide

1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide (PubChem CID 126844436) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide
PubChem CID126844436
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(CC(F)(F)F)CC1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)3-4(1-2-4)12(9,10)11/h1-3H2,(H2,9,10,11)
InChIKeyZEPXAMOYSBELRA-UHFFFAOYSA-N
XLogP0.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide (CID 126844436) is 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide is NS(=O)(=O)C1(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide?
The InChIKey is ZEPXAMOYSBELRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)3-4(1-2-4)12(9,10)11/h1-3H2,(H2,9,10,11).
What are the key properties of 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide?
1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide has a molecular weight of 203.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 126844436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).