N-(trifluoromethylsulfonyl)prop-2-enamide

C4H4F3NO3S — CID 87697987

IUPACN-(trifluoromethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO3S/c1-2-3(9)8-12(10,11)4(5,6)7/h2H,1H2,(H,8,9)
InChIKeyYUCNJWIMINBXIF-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.14
Rot. Bonds2

About N-(trifluoromethylsulfonyl)prop-2-enamide

N-(trifluoromethylsulfonyl)prop-2-enamide (PubChem CID 87697987) has the molecular formula C4H4F3NO3S and a molecular weight of 203.14 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)prop-2-enamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)prop-2-enamide
PubChem CID87697987
Molecular FormulaC4H4F3NO3S
Molecular Weight203.14 g/mol
Exact Mass202.99
IUPAC NameN-(trifluoromethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO3S/c1-2-3(9)8-12(10,11)4(5,6)7/h2H,1H2,(H,8,9)
InChIKeyYUCNJWIMINBXIF-UHFFFAOYSA-N
XLogP0.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)prop-2-enamide?
The IUPAC name of N-(trifluoromethylsulfonyl)prop-2-enamide (CID 87697987) is N-(trifluoromethylsulfonyl)prop-2-enamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)prop-2-enamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)prop-2-enamide is C=CC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)prop-2-enamide?
The InChIKey is YUCNJWIMINBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO3S/c1-2-3(9)8-12(10,11)4(5,6)7/h2H,1H2,(H,8,9).
What are the key properties of N-(trifluoromethylsulfonyl)prop-2-enamide?
N-(trifluoromethylsulfonyl)prop-2-enamide has a molecular weight of 203.14 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)prop-2-enamide is sourced from PubChem (CID 87697987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).