(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

C19H18F2O5 — CID 91531409

IUPAC(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
SMILESC[C@@H]1C[C@@H]2[C@@H](C=CC=CC(=O)Cc3cc(O)cc(O)c3C(=O)O1)C2(F)F
InChIInChI=1S/C19H18F2O5/c1-10-6-15-14(19(15,20)21)5-3-2-4-12(22)7-11-8-13(23)9-16(24)17(11)18(25)26-10/h2-5,8-10,14-15,23-24H,6-7H2,1H3/t10-,14-,15-/m1/s1
InChIKeyLVQPXRRSFJCWBA-VCTAVGKDSA-N
MW364.34 g/mol
LogP3.15
Rot. Bonds

About (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione (PubChem CID 91531409) has the molecular formula C19H18F2O5 and a molecular weight of 364.34 g/mol. Its IUPAC name is (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione.

Molecular Properties

Compound Name(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
PubChem CID91531409
Molecular FormulaC19H18F2O5
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
SMILESC[C@@H]1C[C@@H]2[C@@H](C=CC=CC(=O)Cc3cc(O)cc(O)c3C(=O)O1)C2(F)F
InChIInChI=1S/C19H18F2O5/c1-10-6-15-14(19(15,20)21)5-3-2-4-12(22)7-11-8-13(23)9-16(24)17(11)18(25)26-10/h2-5,8-10,14-15,23-24H,6-7H2,1H3/t10-,14-,15-/m1/s1
InChIKeyLVQPXRRSFJCWBA-VCTAVGKDSA-N
XLogP3.15
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione?
The IUPAC name of (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione (CID 91531409) is (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione.
What is the SMILES notation for (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione?
The canonical SMILES for (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione is C[C@@H]1C[C@@H]2[C@@H](C=CC=CC(=O)Cc3cc(O)cc(O)c3C(=O)O1)C2(F)F.
What is the InChIKey of (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione?
The InChIKey is LVQPXRRSFJCWBA-VCTAVGKDSA-N. The full InChI is InChI=1S/C19H18F2O5/c1-10-6-15-14(19(15,20)21)5-3-2-4-12(22)7-11-8-13(23)9-16(24)17(11)18(25)26-10/h2-5,8-10,14-15,23-24H,6-7H2,1H3/t10-,14-,15-/m1/s1.
What are the key properties of (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione?
(4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione has a molecular weight of 364.34 g/mol, XLogP of 3.15, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8R)-7,7-difluoro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione is sourced from PubChem (CID 91531409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).