N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide

C10H16F3NO3 — CID 134831653

IUPACN-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide
SMILESCC(=O)NC(OCC(F)(F)F)C1CCCCO1
InChIInChI=1S/C10H16F3NO3/c1-7(15)14-9(17-6-10(11,12)13)8-4-2-3-5-16-8/h8-9H,2-6H2,1H3,(H,14,15)
InChIKeyFRDQBINMEWPLGN-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.60
Rot. Bonds4

About N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide

N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide (PubChem CID 134831653) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide.

Molecular Properties

Compound NameN-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide
PubChem CID134831653
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC NameN-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide
SMILESCC(=O)NC(OCC(F)(F)F)C1CCCCO1
InChIInChI=1S/C10H16F3NO3/c1-7(15)14-9(17-6-10(11,12)13)8-4-2-3-5-16-8/h8-9H,2-6H2,1H3,(H,14,15)
InChIKeyFRDQBINMEWPLGN-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide?
The IUPAC name of N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide (CID 134831653) is N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide.
What is the SMILES notation for N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide?
The canonical SMILES for N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide is CC(=O)NC(OCC(F)(F)F)C1CCCCO1.
What is the InChIKey of N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide?
The InChIKey is FRDQBINMEWPLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(15)14-9(17-6-10(11,12)13)8-4-2-3-5-16-8/h8-9H,2-6H2,1H3,(H,14,15).
What are the key properties of N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide?
N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide has a molecular weight of 255.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-2-yl(2,2,2-trifluoroethoxy)methyl]acetamide is sourced from PubChem (CID 134831653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).