5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione

C19H14F3NO4 — CID 58005460

IUPAC5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)O1
InChIInChI=1S/C19H14F3NO4/c20-19(21,22)11-2-4-12(5-3-11)26-13-6-8-14-10(9-13)1-7-15(14)16-17(24)23-18(25)27-16/h2-6,8-9,15-16H,1,7H2,(H,23,24,25)/t15-,16?/m1/s1
InChIKeyLCIQTBDDLCTBHJ-AAFJCEBUSA-N
MW377.32 g/mol
LogP4.16
Rot. Bonds3

About 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione

5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 58005460) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
PubChem CID58005460
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)O1
InChIInChI=1S/C19H14F3NO4/c20-19(21,22)11-2-4-12(5-3-11)26-13-6-8-14-10(9-13)1-7-15(14)16-17(24)23-18(25)27-16/h2-6,8-9,15-16H,1,7H2,(H,23,24,25)/t15-,16?/m1/s1
InChIKeyLCIQTBDDLCTBHJ-AAFJCEBUSA-N
XLogP4.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione (CID 58005460) is 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCc3cc(Oc4ccc(C(F)(F)F)cc4)ccc32)O1.
What is the InChIKey of 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LCIQTBDDLCTBHJ-AAFJCEBUSA-N. The full InChI is InChI=1S/C19H14F3NO4/c20-19(21,22)11-2-4-12(5-3-11)26-13-6-8-14-10(9-13)1-7-15(14)16-17(24)23-18(25)27-16/h2-6,8-9,15-16H,1,7H2,(H,23,24,25)/t15-,16?/m1/s1.
What are the key properties of 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione?
5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 377.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58005460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).