[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol

C7H8F3NO2 — CID 79145902

IUPAC[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)2-1-6-5(3-12)11-4-13-6/h4,12H,1-3H2
InChIKeyZWZKYEPJAKKXQI-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.66
Rot. Bonds3

About [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol

[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol (PubChem CID 79145902) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol
PubChem CID79145902
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)2-1-6-5(3-12)11-4-13-6/h4,12H,1-3H2
InChIKeyZWZKYEPJAKKXQI-UHFFFAOYSA-N
XLogP1.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol (CID 79145902) is [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol is OCc1ncoc1CCC(F)(F)F.
What is the InChIKey of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is ZWZKYEPJAKKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)2-1-6-5(3-12)11-4-13-6/h4,12H,1-3H2.
What are the key properties of [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol?
[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 195.14 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).