2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide

C14H10F7NO3 — CID 142342206

IUPAC2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide
SMILESO=C[C@@H]1[C@@H](C(F)(F)F)OC[C@@]1(NC(=O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C14H10F7NO3/c15-9-4-2-1-3-7(9)12(22-11(24)14(19,20)21)6-25-10(8(12)5-23)13(16,17)18/h1-5,8,10H,6H2,(H,22,24)/t8-,10+,12-/m1/s1
InChIKeyDSGDXAUMTSKODR-UBHAPETDSA-N
MW373.22 g/mol
LogP2.48
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide

2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide (PubChem CID 142342206) has the molecular formula C14H10F7NO3 and a molecular weight of 373.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide
PubChem CID142342206
Molecular FormulaC14H10F7NO3
Molecular Weight373.22 g/mol
Exact Mass373.05
IUPAC Name2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide
SMILESO=C[C@@H]1[C@@H](C(F)(F)F)OC[C@@]1(NC(=O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C14H10F7NO3/c15-9-4-2-1-3-7(9)12(22-11(24)14(19,20)21)6-25-10(8(12)5-23)13(16,17)18/h1-5,8,10H,6H2,(H,22,24)/t8-,10+,12-/m1/s1
InChIKeyDSGDXAUMTSKODR-UBHAPETDSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide (CID 142342206) is 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide is O=C[C@@H]1[C@@H](C(F)(F)F)OC[C@@]1(NC(=O)C(F)(F)F)c1ccccc1F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide?
The InChIKey is DSGDXAUMTSKODR-UBHAPETDSA-N. The full InChI is InChI=1S/C14H10F7NO3/c15-9-4-2-1-3-7(9)12(22-11(24)14(19,20)21)6-25-10(8(12)5-23)13(16,17)18/h1-5,8,10H,6H2,(H,22,24)/t8-,10+,12-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide has a molecular weight of 373.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S,4S,5S)-3-(2-fluorophenyl)-4-formyl-5-(trifluoromethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 142342206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).