(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

C7H7F6NO3 — CID 10934433

IUPAC(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESC[C@@H](O)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C7H7F6NO3/c1-2(15)3-4(16)17-5(14-3,6(8,9)10)7(11,12)13/h2-3,14-15H,1H3/t2-,3+/m1/s1
InChIKeyZIXDOUZMCXSOJH-GBXIJSLDSA-N
MW267.13 g/mol
LogP0.70
Rot. Bonds1

About (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 10934433) has the molecular formula C7H7F6NO3 and a molecular weight of 267.13 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID10934433
Molecular FormulaC7H7F6NO3
Molecular Weight267.13 g/mol
Exact Mass267.03
IUPAC Name(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESC[C@@H](O)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C7H7F6NO3/c1-2(15)3-4(16)17-5(14-3,6(8,9)10)7(11,12)13/h2-3,14-15H,1H3/t2-,3+/m1/s1
InChIKeyZIXDOUZMCXSOJH-GBXIJSLDSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 10934433) is (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is C[C@@H](O)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is ZIXDOUZMCXSOJH-GBXIJSLDSA-N. The full InChI is InChI=1S/C7H7F6NO3/c1-2(15)3-4(16)17-5(14-3,6(8,9)10)7(11,12)13/h2-3,14-15H,1H3/t2-,3+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
(4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 267.13 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-hydroxyethyl]-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 10934433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).