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

C7H4F9NO2 — CID 101079651

IUPAC(4S)-4-(2,2,2-trifluoroethyl)-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)F
InChIInChI=1S/C7H4F9NO2/c8-4(9,10)1-2-3(18)19-5(17-2,6(11,12)13)7(14,15)16/h2,17H,1H2/t2-/m0/s1
InChIKeyCZWKVXPSWDCXHA-REOHCLBHSA-N
MW305.10 g/mol
LogP2.27
Rot. Bonds1

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

(4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 101079651) has the molecular formula C7H4F9NO2 and a molecular weight of 305.10 g/mol. Its IUPAC name is (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID101079651
Molecular FormulaC7H4F9NO2
Molecular Weight305.10 g/mol
Exact Mass305.01
IUPAC Name(4S)-4-(2,2,2-trifluoroethyl)-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)F
InChIInChI=1S/C7H4F9NO2/c8-4(9,10)1-2-3(18)19-5(17-2,6(11,12)13)7(14,15)16/h2,17H,1H2/t2-/m0/s1
InChIKeyCZWKVXPSWDCXHA-REOHCLBHSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 101079651) is (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-(2,2,2-trifluoroethyl)-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)F.
What is the InChIKey of (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is CZWKVXPSWDCXHA-REOHCLBHSA-N. The full InChI is InChI=1S/C7H4F9NO2/c8-4(9,10)1-2-3(18)19-5(17-2,6(11,12)13)7(14,15)16/h2,17H,1H2/t2-/m0/s1.
What are the key properties of (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
(4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 305.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 101079651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).