2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol

C6H6F3NO2 — CID 138007654

IUPAC2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol
SMILESCc1cnc(C(O)C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO2/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2,4,11H,1H3
InChIKeyNTSLSUYMHREDSC-UHFFFAOYSA-N
MW181.11 g/mol
LogP1.58
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol

2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol (PubChem CID 138007654) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol
PubChem CID138007654
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol
SMILESCc1cnc(C(O)C(F)(F)F)o1
InChIInChI=1S/C6H6F3NO2/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2,4,11H,1H3
InChIKeyNTSLSUYMHREDSC-UHFFFAOYSA-N
XLogP1.58
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-methyl-1,3-oxazole-2-carboxylate
CID 22099282
2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one
CID 137965662
2,2,2-Trifluoro-1-(oxazol-2-yl)ethan-1-ol
CID 138039699
(5-Methyl-1,3-oxazol-2-yl)methanol
CID 22081028
5-Methyl-1,3-oxazole-2-carbaldehyde
CID 22081030
2-Methyl-5-oxazolemethanol
CID 44119608
(2-Tert-butyl-1,3-oxazol-5-yl)methanol
CID 86767331
(5-Isopropyloxazol-2-yl)methanol
CID 90380830
(5-Ethyl-1,3-oxazol-2-yl)methanol
CID 105427307
2-((5-Methyl-1,3-oxazol-2-yl)methoxy)acetic acid
CID 83814406
3-Amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol
CID 138039679
1-(5-Ethyloxazol-2-yl)-2,2,2-trifluoroethan-1-one
CID 168474942

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol (CID 138007654) is 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol is Cc1cnc(C(O)C(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol?
The InChIKey is NTSLSUYMHREDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2,4,11H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol?
2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol has a molecular weight of 181.11 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol is sourced from PubChem (CID 138007654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).