1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol

C7H8F3NO2 — CID 122677819

IUPAC1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol
SMILESCc1nc(C(C)(O)C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO2/c1-4-11-5(3-13-4)6(2,12)7(8,9)10/h3,12H,1-2H3
InChIKeyYHXWXHJTDXTSCZ-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.75
Rot. Bonds1

About 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol

1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol (PubChem CID 122677819) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol
PubChem CID122677819
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol
SMILESCc1nc(C(C)(O)C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO2/c1-4-11-5(3-13-4)6(2,12)7(8,9)10/h3,12H,1-2H3
InChIKeyYHXWXHJTDXTSCZ-UHFFFAOYSA-N
XLogP1.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chloro-1,3-oxazol-4-yl)propan-2-ol
CID 72214564
4-Propan-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 57698679
(2-(1,1-Difluoroethyl)oxazol-4-yl)methanol
CID 67127967
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 122677791
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethane-1,1-diol
CID 122677820
2,2-Difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethanol
CID 131498318
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropan-1-ol
CID 135295963
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2-difluoropropane-1,1-diol
CID 135295980
2-(2-Tert-butyl-1,3-oxazol-4-yl)-3,3-difluorobutan-2-ol
CID 135295981
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethane-1,1-diol
CID 135297374
1-(2-Tert-butyl-1,3-oxazol-4-yl)-2,2,2-trifluoroethanol
CID 146264800
Tert-butyl-[2,2-difluoro-1-(2-methyl-1,3-oxazol-4-yl)ethoxy]-dimethylsilane
CID 149898787

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol (CID 122677819) is 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol is Cc1nc(C(C)(O)C(F)(F)F)co1.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol?
The InChIKey is YHXWXHJTDXTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-4-11-5(3-13-4)6(2,12)7(8,9)10/h3,12H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol?
1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol has a molecular weight of 195.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methyl-1,3-oxazol-4-yl)propan-2-ol is sourced from PubChem (CID 122677819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).