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

C7H5F8NO2 — CID 59833022

IUPAC(4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)N[C@H]1CC(F)F
InChIInChI=1S/C7H5F8NO2/c8-3(9)1-2-4(17)18-5(16-2,6(10,11)12)7(13,14)15/h2-3,16H,1H2/t2-/m0/s1
InChIKeyAIZSAHXWJXCXNJ-REOHCLBHSA-N
MW287.11 g/mol
LogP1.98
Rot. Bonds2

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

(4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 59833022) has the molecular formula C7H5F8NO2 and a molecular weight of 287.11 g/mol. Its IUPAC name is (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID59833022
Molecular FormulaC7H5F8NO2
Molecular Weight287.11 g/mol
Exact Mass287.02
IUPAC Name(4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)N[C@H]1CC(F)F
InChIInChI=1S/C7H5F8NO2/c8-3(9)1-2-4(17)18-5(16-2,6(10,11)12)7(13,14)15/h2-3,16H,1H2/t2-/m0/s1
InChIKeyAIZSAHXWJXCXNJ-REOHCLBHSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 59833022) is (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is O=C1OC(C(F)(F)F)(C(F)(F)F)N[C@H]1CC(F)F.
What is the InChIKey of (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is AIZSAHXWJXCXNJ-REOHCLBHSA-N. The full InChI is InChI=1S/C7H5F8NO2/c8-3(9)1-2-4(17)18-5(16-2,6(10,11)12)7(13,14)15/h2-3,16H,1H2/t2-/m0/s1.
What are the key properties of (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
(4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 287.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,2-difluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 59833022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).