2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H13F6NO2 — CID 143474136

IUPAC2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCC1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C10H13F6NO2/c1-2-3-4-6-5-7(19-17-6)8(18,9(11,12)13)10(14,15)16/h7,18H,2-5H2,1H3
InChIKeyRJBFOPPRHIIGOH-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.18
Rot. Bonds4

About 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 143474136) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID143474136
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCC1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C10H13F6NO2/c1-2-3-4-6-5-7(19-17-6)8(18,9(11,12)13)10(14,15)16/h7,18H,2-5H2,1H3
InChIKeyRJBFOPPRHIIGOH-UHFFFAOYSA-N
XLogP3.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
CID 59459500
1,1,1,3,3,3-Hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
CID 88562067
(5-methyl-3-propyl-4H-1,2-oxazol-5-yl)methanol
CID 22121110

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 143474136) is 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCCCC1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is RJBFOPPRHIIGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c1-2-3-4-6-5-7(19-17-6)8(18,9(11,12)13)10(14,15)16/h7,18H,2-5H2,1H3.
What are the key properties of 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 293.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4,5-dihydro-1,2-oxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 143474136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).