(4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one

C10H14F3NO3 — CID 10422368

IUPAC(4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-6(2)7-5-17-9(16)14(7)8(15)3-4-10(11,12)13/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDAGPYFHPIILCIF-SSDOTTSWSA-N
MW253.22 g/mol
LogP2.33
Rot. Bonds3

About (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one (PubChem CID 10422368) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
PubChem CID10422368
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name(4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-6(2)7-5-17-9(16)14(7)8(15)3-4-10(11,12)13/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDAGPYFHPIILCIF-SSDOTTSWSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
(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
N-acetyl-(4s)-isopropyl 2-oxazolidinone
CID 11126719
(4S)-4-tert-butyl-3-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 59706979

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one (CID 10422368) is (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)CCC(F)(F)F.
What is the InChIKey of (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is DAGPYFHPIILCIF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-6(2)7-5-17-9(16)14(7)8(15)3-4-10(11,12)13/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 253.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10422368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).