2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide

C10H16F3NO2 — CID 87194404

IUPAC2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide
SMILESO=C(NCCCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)9(15)14-5-1-2-8-3-6-16-7-4-8/h8H,1-7H2,(H,14,15)
InChIKeyFQCKOHZBQKETST-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide (PubChem CID 87194404) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide
PubChem CID87194404
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide
SMILESO=C(NCCCC1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)9(15)14-5-1-2-8-3-6-16-7-4-8/h8H,1-7H2,(H,14,15)
InChIKeyFQCKOHZBQKETST-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
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 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide (CID 87194404) is 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide is O=C(NCCCC1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide?
The InChIKey is FQCKOHZBQKETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)9(15)14-5-1-2-8-3-6-16-7-4-8/h8H,1-7H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide has a molecular weight of 239.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide is sourced from PubChem (CID 87194404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).