(3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione

C20H16F2O6 — CID 11047410

IUPAC(3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
SMILESO=C1O[C@@H]2[C@@H](OC(=O)[C@@H]2OCc2ccc(F)cc2)[C@H]1OCc1ccc(F)cc1
InChIInChI=1S/C20H16F2O6/c21-13-5-1-11(2-6-13)9-25-17-15-16(28-19(17)23)18(20(24)27-15)26-10-12-3-7-14(22)8-4-12/h1-8,15-18H,9-10H2/t15-,16-,17-,18-/m1/s1
InChIKeyDFACWEWYPWNKRW-BRSBDYLESA-N
MW390.34 g/mol
LogP2.29
Rot. Bonds6

About (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione

(3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione (PubChem CID 11047410) has the molecular formula C20H16F2O6 and a molecular weight of 390.34 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
PubChem CID11047410
Molecular FormulaC20H16F2O6
Molecular Weight390.34 g/mol
Exact Mass390.09
IUPAC Name(3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
SMILESO=C1O[C@@H]2[C@@H](OC(=O)[C@@H]2OCc2ccc(F)cc2)[C@H]1OCc1ccc(F)cc1
InChIInChI=1S/C20H16F2O6/c21-13-5-1-11(2-6-13)9-25-17-15-16(28-19(17)23)18(20(24)27-15)26-10-12-3-7-14(22)8-4-12/h1-8,15-18H,9-10H2/t15-,16-,17-,18-/m1/s1
InChIKeyDFACWEWYPWNKRW-BRSBDYLESA-N
XLogP2.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
The IUPAC name of (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione (CID 11047410) is (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione.
What is the SMILES notation for (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
The canonical SMILES for (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione is O=C1O[C@@H]2[C@@H](OC(=O)[C@@H]2OCc2ccc(F)cc2)[C@H]1OCc1ccc(F)cc1.
What is the InChIKey of (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
The InChIKey is DFACWEWYPWNKRW-BRSBDYLESA-N. The full InChI is InChI=1S/C20H16F2O6/c21-13-5-1-11(2-6-13)9-25-17-15-16(28-19(17)23)18(20(24)27-15)26-10-12-3-7-14(22)8-4-12/h1-8,15-18H,9-10H2/t15-,16-,17-,18-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione?
(3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione has a molecular weight of 390.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3,6-bis[(4-fluorophenyl)methoxy]-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione is sourced from PubChem (CID 11047410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).