2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide

C7H9F3INO2 — CID 15274856

IUPAC2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide
SMILESO=C(N[C@@H]1CCO[C@@H]1CI)C(F)(F)F
InChIInChI=1S/C7H9F3INO2/c8-7(9,10)6(13)12-4-1-2-14-5(4)3-11/h4-5H,1-3H2,(H,12,13)/t4-,5-/m1/s1
InChIKeyROJPUPPBPVBWKO-RFZPGFLSSA-N
MW323.05 g/mol
LogP1.26
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide

2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide (PubChem CID 15274856) has the molecular formula C7H9F3INO2 and a molecular weight of 323.05 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide
PubChem CID15274856
Molecular FormulaC7H9F3INO2
Molecular Weight323.05 g/mol
Exact Mass322.96
IUPAC Name2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide
SMILESO=C(N[C@@H]1CCO[C@@H]1CI)C(F)(F)F
InChIInChI=1S/C7H9F3INO2/c8-7(9,10)6(13)12-4-1-2-14-5(4)3-11/h4-5H,1-3H2,(H,12,13)/t4-,5-/m1/s1
InChIKeyROJPUPPBPVBWKO-RFZPGFLSSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.05
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide (CID 15274856) is 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide is O=C(N[C@@H]1CCO[C@@H]1CI)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide?
The InChIKey is ROJPUPPBPVBWKO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H9F3INO2/c8-7(9,10)6(13)12-4-1-2-14-5(4)3-11/h4-5H,1-3H2,(H,12,13)/t4-,5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide has a molecular weight of 323.05 g/mol, XLogP of 1.26, 2 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-[(2S,3R)-2-(iodomethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 15274856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).