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

C11H14F3NO2 — CID 104622967

IUPAC[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)8-4-2-1-3-7(8)10-9(5-16)15-6-17-10/h6-8,16H,1-5H2
InChIKeyUVQVRIJNYIFGHK-UHFFFAOYSA-N
MW249.23 g/mol
LogP3.00
Rot. Bonds2

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

[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol (PubChem CID 104622967) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol
PubChem CID104622967
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)8-4-2-1-3-7(8)10-9(5-16)15-6-17-10/h6-8,16H,1-5H2
InChIKeyUVQVRIJNYIFGHK-UHFFFAOYSA-N
XLogP3.00
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol (CID 104622967) is [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol is OCc1ncoc1C1CCCCC1C(F)(F)F.
What is the InChIKey of [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is UVQVRIJNYIFGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)8-4-2-1-3-7(8)10-9(5-16)15-6-17-10/h6-8,16H,1-5H2.
What are the key properties of [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol?
[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 249.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 104622967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).