2-propoxy-N-(3,3,3-trifluoropropyl)acetamide

C8H14F3NO2 — CID 103709587

IUPAC2-propoxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCCOCC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-5-14-6-7(13)12-4-3-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyOBZZQJMBDDRHAY-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds6

About 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide

2-propoxy-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 103709587) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-propoxy-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID103709587
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-propoxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCCOCC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-5-14-6-7(13)12-4-3-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyOBZZQJMBDDRHAY-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide (CID 103709587) is 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide is CCCOCC(=O)NCCC(F)(F)F.
What is the InChIKey of 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is OBZZQJMBDDRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-5-14-6-7(13)12-4-3-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide?
2-propoxy-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 103709587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).