(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

C9H11F6NO2 — CID 11022260

IUPAC(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESCC(C)C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C9H11F6NO2/c1-4(2)3-5-6(17)18-7(16-5,8(10,11)12)9(13,14)15/h4-5,16H,3H2,1-2H3/t5-/m0/s1
InChIKeyVASPQVNLWIFFDX-YFKPBYRVSA-N
MW279.18 g/mol
LogP2.37
Rot. Bonds2

About (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 11022260) has the molecular formula C9H11F6NO2 and a molecular weight of 279.18 g/mol. Its IUPAC name is (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID11022260
Molecular FormulaC9H11F6NO2
Molecular Weight279.18 g/mol
Exact Mass279.07
IUPAC Name(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESCC(C)C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C9H11F6NO2/c1-4(2)3-5-6(17)18-7(16-5,8(10,11)12)9(13,14)15/h4-5,16H,3H2,1-2H3/t5-/m0/s1
InChIKeyVASPQVNLWIFFDX-YFKPBYRVSA-N
XLogP2.37
TPSA38.33 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 11022260) is (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is CC(C)C[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is VASPQVNLWIFFDX-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11F6NO2/c1-4(2)3-5-6(17)18-7(16-5,8(10,11)12)9(13,14)15/h4-5,16H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 279.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 11022260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).