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

C20H14F5NO6 — CID 58005313

IUPAC(5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4OC(F)F)ccc32)O1
InChIInChI=1S/C20H14F5NO6/c21-18(22)31-15-7-9(20(23,24)25)1-4-13(15)30-10-2-3-11-12(5-6-29-14(11)8-10)16-17(27)26-19(28)32-16/h1-4,7-8,12,16,18H,5-6H2,(H,26,27,28)/t12-,16+/m1/s1
InChIKeyDCSZHXDVCOVZIZ-WBMJQRKESA-N
MW459.32 g/mol
LogP4.60
Rot. Bonds5

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

(5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 58005313) has the molecular formula C20H14F5NO6 and a molecular weight of 459.32 g/mol. Its IUPAC name is (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID58005313
Molecular FormulaC20H14F5NO6
Molecular Weight459.32 g/mol
Exact Mass459.07
IUPAC Name(5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4OC(F)F)ccc32)O1
InChIInChI=1S/C20H14F5NO6/c21-18(22)31-15-7-9(20(23,24)25)1-4-13(15)30-10-2-3-11-12(5-6-29-14(11)8-10)16-17(27)26-19(28)32-16/h1-4,7-8,12,16,18H,5-6H2,(H,26,27,28)/t12-,16+/m1/s1
InChIKeyDCSZHXDVCOVZIZ-WBMJQRKESA-N
XLogP4.60
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione (CID 58005313) is (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is O=C1NC(=O)[C@H]([C@@H]2CCOc3cc(Oc4ccc(C(F)(F)F)cc4OC(F)F)ccc32)O1.
What is the InChIKey of (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is DCSZHXDVCOVZIZ-WBMJQRKESA-N. The full InChI is InChI=1S/C20H14F5NO6/c21-18(22)31-15-7-9(20(23,24)25)1-4-13(15)30-10-2-3-11-12(5-6-29-14(11)8-10)16-17(27)26-19(28)32-16/h1-4,7-8,12,16,18H,5-6H2,(H,26,27,28)/t12-,16+/m1/s1.
What are the key properties of (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione?
(5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 459.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4R)-7-[2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58005313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).