3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C14H17F7N2O3 — CID 4985309

IUPAC3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCC(F)(C(F)(F)F)C(F)(F)F)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H17F7N2O3/c15-12(13(16,17)18,14(19,20)21)4-1-10(24)22-5-2-9(3-6-22)23-7-8-26-11(23)25/h9H,1-8H2
InChIKeyRBRQOOFWIFNXPG-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.04
Rot. Bonds4

About 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 4985309) has the molecular formula C14H17F7N2O3 and a molecular weight of 394.29 g/mol. Its IUPAC name is 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID4985309
Molecular FormulaC14H17F7N2O3
Molecular Weight394.29 g/mol
Exact Mass394.11
IUPAC Name3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCC(F)(C(F)(F)F)C(F)(F)F)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H17F7N2O3/c15-12(13(16,17)18,14(19,20)21)4-1-10(24)22-5-2-9(3-6-22)23-7-8-26-11(23)25/h9H,1-8H2
InChIKeyRBRQOOFWIFNXPG-UHFFFAOYSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 4985309) is 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(CCC(F)(C(F)(F)F)C(F)(F)F)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RBRQOOFWIFNXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F7N2O3/c15-12(13(16,17)18,14(19,20)21)4-1-10(24)22-5-2-9(3-6-22)23-7-8-26-11(23)25/h9H,1-8H2.
What are the key properties of 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 394.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4985309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).