1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol

C7H7F6NO2 — CID 88562067

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
SMILESCC1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C7H7F6NO2/c1-3-2-4(16-14-3)5(15,6(8,9)10)7(11,12)13/h4,15H,2H2,1H3
InChIKeyZLSYMBPBFPFOGT-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.01
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol (PubChem CID 88562067) has the molecular formula C7H7F6NO2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
PubChem CID88562067
Molecular FormulaC7H7F6NO2
Molecular Weight251.13 g/mol
Exact Mass251.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
SMILESCC1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C7H7F6NO2/c1-3-2-4(16-14-3)5(15,6(8,9)10)7(11,12)13/h4,15H,2H2,1H3
InChIKeyZLSYMBPBFPFOGT-UHFFFAOYSA-N
XLogP2.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol (CID 88562067) is 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol is CC1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
The InChIKey is ZLSYMBPBFPFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6NO2/c1-3-2-4(16-14-3)5(15,6(8,9)10)7(11,12)13/h4,15H,2H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol has a molecular weight of 251.13 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol is sourced from PubChem (CID 88562067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).