[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol

C5H6F3NO2 — CID 71662966

IUPAC[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4-1-3(2-10)9-11-4/h4,10H,1-2H2
InChIKeyZCOHAKFEMKVOCX-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.69
Rot. Bonds1

About [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol

[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 71662966) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID71662966
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESOCC1=NOC(C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4-1-3(2-10)9-11-4/h4,10H,1-2H2
InChIKeyZCOHAKFEMKVOCX-UHFFFAOYSA-N
XLogP0.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 71662966) is [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol is OCC1=NOC(C(F)(F)F)C1.
What is the InChIKey of [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is ZCOHAKFEMKVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)4-1-3(2-10)9-11-4/h4,10H,1-2H2.
What are the key properties of [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol?
[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 169.10 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 71662966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).