2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C8H13F3N2OS — CID 106428307

IUPAC2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESC=CCNCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c1-2-3-12-6-7(14)13-4-5-15-8(9,10)11/h2,12H,1,3-6H2,(H,13,14)
InChIKeyXCHCJNRPTUDGFA-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.13
Rot. Bonds7

About 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 106428307) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID106428307
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESC=CCNCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c1-2-3-12-6-7(14)13-4-5-15-8(9,10)11/h2,12H,1,3-6H2,(H,13,14)
InChIKeyXCHCJNRPTUDGFA-UHFFFAOYSA-N
XLogP1.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 106428307) is 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is C=CCNCC(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is XCHCJNRPTUDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c1-2-3-12-6-7(14)13-4-5-15-8(9,10)11/h2,12H,1,3-6H2,(H,13,14).
What are the key properties of 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 242.27 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 106428307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).