3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol

C7H8F3NO2 — CID 10512040

IUPAC3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol
SMILESOC12CCCC1C(C(F)(F)F)=NO2
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)5-4-2-1-3-6(4,12)13-11-5/h4,12H,1-3H2
InChIKeyMFOMPOWQTGZRQW-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.42
Rot. Bonds

About 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol

3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol (PubChem CID 10512040) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol
PubChem CID10512040
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol
SMILESOC12CCCC1C(C(F)(F)F)=NO2
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)5-4-2-1-3-6(4,12)13-11-5/h4,12H,1-3H2
InChIKeyMFOMPOWQTGZRQW-UHFFFAOYSA-N
XLogP1.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol?
The IUPAC name of 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol (CID 10512040) is 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol.
What is the SMILES notation for 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol?
The canonical SMILES for 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol is OC12CCCC1C(C(F)(F)F)=NO2.
What is the InChIKey of 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol?
The InChIKey is MFOMPOWQTGZRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)5-4-2-1-3-6(4,12)13-11-5/h4,12H,1-3H2.
What are the key properties of 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol?
3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol has a molecular weight of 195.14 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-ol is sourced from PubChem (CID 10512040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).