3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one

C15H6F15NO2 — CID 12736414

IUPAC3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)N(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H6F15NO2/c16-11(17,18)9(12(19,20)21)8(32)33-7(6-4-2-1-3-5-6)31(9)10(13(22,23)24,14(25,26)27)15(28,29)30/h1-5,7H
InChIKeyBPUUKVCQSKVTLR-UHFFFAOYSA-N
MW517.19 g/mol
LogP5.83
Rot. Bonds2

About 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one

3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 12736414) has the molecular formula C15H6F15NO2 and a molecular weight of 517.19 g/mol. Its IUPAC name is 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID12736414
Molecular FormulaC15H6F15NO2
Molecular Weight517.19 g/mol
Exact Mass517.02
IUPAC Name3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESO=C1OC(c2ccccc2)N(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H6F15NO2/c16-11(17,18)9(12(19,20)21)8(32)33-7(6-4-2-1-3-5-6)31(9)10(13(22,23)24,14(25,26)27)15(28,29)30/h1-5,7H
InChIKeyBPUUKVCQSKVTLR-UHFFFAOYSA-N
XLogP5.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.19
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 12736414) is 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one is O=C1OC(c2ccccc2)N(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is BPUUKVCQSKVTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F15NO2/c16-11(17,18)9(12(19,20)21)8(32)33-7(6-4-2-1-3-5-6)31(9)10(13(22,23)24,14(25,26)27)15(28,29)30/h1-5,7H.
What are the key properties of 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 517.19 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 12736414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).