N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide

C5H6F3NO3S — CID 155170689

IUPACN-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO3S/c1-2-4(10)9-13(11,12)3-5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyQMTIDYHAHWVCAI-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.18
Rot. Bonds3

About N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide

N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide (PubChem CID 155170689) has the molecular formula C5H6F3NO3S and a molecular weight of 217.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide
PubChem CID155170689
Molecular FormulaC5H6F3NO3S
Molecular Weight217.17 g/mol
Exact Mass217.00
IUPAC NameN-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO3S/c1-2-4(10)9-13(11,12)3-5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyQMTIDYHAHWVCAI-UHFFFAOYSA-N
XLogP0.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(trifluoromethylsulfonyl)prop-2-enamide
CID 87697987
3-(Trifluoromethylsulfonyl)prop-2-enamide
CID 117929350
(E)-N-(2,2,2-trifluoroethylsulfonyl)but-2-enamide
CID 155170692
N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide
CID 164845132
(E)-N-(1,1,2,2,2-pentafluoroethylsulfonyl)but-2-enamide
CID 164845146
N-ethenylsulfonylprop-2-enamide
CID 20538721
N-ethylsulfonylprop-2-enamide
CID 54369805
N-propylsulfonylprop-2-enamide
CID 56621006
N-cyclopropylsulfonylprop-2-enamide
CID 68374963
N-prop-2-enylsulfonylprop-2-enamide
CID 87345216
N-butan-2-ylsulfonylprop-2-enamide
CID 87846704
N-butylsulfonylprop-2-enamide
CID 130339621

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide?
The IUPAC name of N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide (CID 155170689) is N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide is C=CC(=O)NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide?
The InChIKey is QMTIDYHAHWVCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3S/c1-2-4(10)9-13(11,12)3-5(6,7)8/h2H,1,3H2,(H,9,10).
What are the key properties of N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide?
N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide has a molecular weight of 217.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfonyl)prop-2-enamide is sourced from PubChem (CID 155170689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).