4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol

C7H8F3NO2 — CID 118196770

IUPAC4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1cocn1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)2-1-6(12)5-3-13-4-11-5/h3-4,6,12H,1-2H2
InChIKeyXMEGKSRCPWPZKK-UHFFFAOYSA-N
MW195.14 g/mol
LogP2.05
Rot. Bonds3

About 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol

4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol (PubChem CID 118196770) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
PubChem CID118196770
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1cocn1
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)2-1-6(12)5-3-13-4-11-5/h3-4,6,12H,1-2H2
InChIKeyXMEGKSRCPWPZKK-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol (CID 118196770) is 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol is OC(CCC(F)(F)F)c1cocn1.
What is the InChIKey of 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
The InChIKey is XMEGKSRCPWPZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)2-1-6(12)5-3-13-4-11-5/h3-4,6,12H,1-2H2.
What are the key properties of 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol has a molecular weight of 195.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol is sourced from PubChem (CID 118196770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).