5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione

C19H13ClF3NO5 — CID 11704611

IUPAC5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)O1
InChIInChI=1S/C19H13ClF3NO5/c20-13-7-9(19(21,22)23)1-4-14(13)28-10-2-3-11-12(5-6-27-15(11)8-10)16-17(25)24-18(26)29-16/h1-4,7-8,12,16H,5-6H2,(H,24,25,26)/t12-,16?/m1/s1
InChIKeyGBIZZCYVZKEFGB-ZGTOLYCTSA-N
MW427.76 g/mol
LogP4.65
Rot. Bonds3

About 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione

5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 11704611) has the molecular formula C19H13ClF3NO5 and a molecular weight of 427.76 g/mol. Its IUPAC name is 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID11704611
Molecular FormulaC19H13ClF3NO5
Molecular Weight427.76 g/mol
Exact Mass427.04
IUPAC Name5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)O1
InChIInChI=1S/C19H13ClF3NO5/c20-13-7-9(19(21,22)23)1-4-14(13)28-10-2-3-11-12(5-6-27-15(11)8-10)16-17(25)24-18(26)29-16/h1-4,7-8,12,16H,5-6H2,(H,24,25,26)/t12-,16?/m1/s1
InChIKeyGBIZZCYVZKEFGB-ZGTOLYCTSA-N
XLogP4.65
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (CID 11704611) is 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc32)O1.
What is the InChIKey of 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is GBIZZCYVZKEFGB-ZGTOLYCTSA-N. The full InChI is InChI=1S/C19H13ClF3NO5/c20-13-7-9(19(21,22)23)1-4-14(13)28-10-2-3-11-12(5-6-27-15(11)8-10)16-17(25)24-18(26)29-16/h1-4,7-8,12,16H,5-6H2,(H,24,25,26)/t12-,16?/m1/s1.
What are the key properties of 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 427.76 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-7-[2-chloro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11704611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).