5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione

C21H15F6NO4 — CID 11547084

IUPAC5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCCc3cc(Oc4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)O1
InChIInChI=1S/C21H15F6NO4/c22-20(23,24)11-4-7-16(15(9-11)21(25,26)27)31-12-5-6-13-10(8-12)2-1-3-14(13)17-18(29)28-19(30)32-17/h4-9,14,17H,1-3H2,(H,28,29,30)/t14-,17?/m1/s1
InChIKeyUEGNEWOQSAOUGU-XPCCGILXSA-N
MW459.34 g/mol
LogP5.57
Rot. Bonds3

About 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione

5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 11547084) has the molecular formula C21H15F6NO4 and a molecular weight of 459.34 g/mol. Its IUPAC name is 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID11547084
Molecular FormulaC21H15F6NO4
Molecular Weight459.34 g/mol
Exact Mass459.09
IUPAC Name5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCCc3cc(Oc4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)O1
InChIInChI=1S/C21H15F6NO4/c22-20(23,24)11-4-7-16(15(9-11)21(25,26)27)31-12-5-6-13-10(8-12)2-1-3-14(13)17-18(29)28-19(30)32-17/h4-9,14,17H,1-3H2,(H,28,29,30)/t14-,17?/m1/s1
InChIKeyUEGNEWOQSAOUGU-XPCCGILXSA-N
XLogP5.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione (CID 11547084) is 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCCc3cc(Oc4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)O1.
What is the InChIKey of 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is UEGNEWOQSAOUGU-XPCCGILXSA-N. The full InChI is InChI=1S/C21H15F6NO4/c22-20(23,24)11-4-7-16(15(9-11)21(25,26)27)31-12-5-6-13-10(8-12)2-1-3-14(13)17-18(29)28-19(30)32-17/h4-9,14,17H,1-3H2,(H,28,29,30)/t14-,17?/m1/s1.
What are the key properties of 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione?
5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 459.34 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11547084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).