N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide

C7H10F3NO2 — CID 60707352

IUPACN-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide
SMILESC=COCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyLAVKBQLSNSLYMG-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.22
Rot. Bonds5

About N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide

N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide (PubChem CID 60707352) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide
PubChem CID60707352
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide
SMILESC=COCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyLAVKBQLSNSLYMG-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide (CID 60707352) is N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide is C=COCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide?
The InChIKey is LAVKBQLSNSLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-13-5-3-4-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12).
What are the key properties of N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide?
N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide has a molecular weight of 197.16 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 60707352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).