3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one

C7H4F3NO2 — CID 83861264

IUPAC3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
SMILESO=C1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)6-5-3(12)1-2-4(5)13-11-6/h1-2H2
InChIKeyWDEVTQVWZCTIED-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.82
Rot. Bonds

About 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one

3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one (PubChem CID 83861264) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
PubChem CID83861264
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
SMILESO=C1CCc2onc(C(F)(F)F)c21
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)6-5-3(12)1-2-4(5)13-11-6/h1-2H2
InChIKeyWDEVTQVWZCTIED-UHFFFAOYSA-N
XLogP1.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H,5H,6H-cyclopenta(d)(1,2)oxazole-3-carbaldehyde
CID 28808650
6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
3-(Trifluoromethyl)-4,5,6,7,8,9-hexahydrocycloocta[c][1,2]oxazole
CID 153530568
6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105430202
4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105430204
1-(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)ethanone
CID 105434014
6,6-Difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105435356
4,4-Difluoro-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105435357
(6,6-Difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105435720
(4,4-Difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105435723
(6,6-Difluoro-4,5-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105435958
(4,4-Difluoro-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105435959

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
The IUPAC name of 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one (CID 83861264) is 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one.
What is the SMILES notation for 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
The canonical SMILES for 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one is O=C1CCc2onc(C(F)(F)F)c21.
What is the InChIKey of 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
The InChIKey is WDEVTQVWZCTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)6-5-3(12)1-2-4(5)13-11-6/h1-2H2.
What are the key properties of 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one?
3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one has a molecular weight of 191.11 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one is sourced from PubChem (CID 83861264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).