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

C9H11F6NO2 — CID 59459500

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
SMILESCC(C)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C9H11F6NO2/c1-4(2)5-3-6(18-16-5)7(17,8(10,11)12)9(13,14)15/h4,6,17H,3H2,1-2H3
InChIKeyFTMULODSYDMQIF-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.64
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol (PubChem CID 59459500) has the molecular formula C9H11F6NO2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
PubChem CID59459500
Molecular FormulaC9H11F6NO2
Molecular Weight279.18 g/mol
Exact Mass279.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol
SMILESCC(C)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C9H11F6NO2/c1-4(2)5-3-6(18-16-5)7(17,8(10,11)12)9(13,14)15/h4,6,17H,3H2,1-2H3
InChIKeyFTMULODSYDMQIF-UHFFFAOYSA-N
XLogP2.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.64
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-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
The IUPAC name of 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) is 1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-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-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol is CC(C)C1=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-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
The InChIKey is FTMULODSYDMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO2/c1-4(2)5-3-6(18-16-5)7(17,8(10,11)12)9(13,14)15/h4,6,17H,3H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol has a molecular weight of 279.18 g/mol, XLogP of 2.64, 2 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-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)propan-2-ol is sourced from PubChem (CID 59459500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).