4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

C11H16F3NO3 — CID 77476426

IUPAC4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)CCCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyPDGUBGGKVSFZAA-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.72
Rot. Bonds4

About 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one (PubChem CID 77476426) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
PubChem CID77476426
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(=O)CCCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyPDGUBGGKVSFZAA-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpentanoyl)-1,3-oxazolidin-2-one
CID 24790368
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
ethyl (3S)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
CID 134905636
ethyl (3R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentanoate
CID 134905637
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135056187
(4S)-3-[(2S)-2-(difluoromethyl)hexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135070675
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
(4S)-3-(3,3-dimethylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10878892
(4S)-3-[(2S)-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11615658
(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14939235

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one (CID 77476426) is 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(=O)CCCC(F)(F)F.
What is the InChIKey of 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is PDGUBGGKVSFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7(2)8-6-18-10(17)15(8)9(16)4-3-5-11(12,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one?
4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 267.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 77476426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).