(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one

C20H17FO3 — CID 138971841

IUPAC(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one
SMILESO=C1COCC12OC1CC(c3ccccc3)[C@@H]2c2ccc(F)cc21
InChIInChI=1S/C20H17FO3/c21-13-6-7-14-16(8-13)17-9-15(12-4-2-1-3-5-12)19(14)20(24-17)11-23-10-18(20)22/h1-8,15,17,19H,9-11H2/t15?,17?,19-,20?/m0/s1
InChIKeyNFTMQADTIITKHO-ZQEOKTMCSA-N
MW324.35 g/mol
LogP3.51
Rot. Bonds1

About (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one

(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one (PubChem CID 138971841) has the molecular formula C20H17FO3 and a molecular weight of 324.35 g/mol. Its IUPAC name is (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one.

Molecular Properties

Compound Name(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one
PubChem CID138971841
Molecular FormulaC20H17FO3
Molecular Weight324.35 g/mol
Exact Mass324.12
IUPAC Name(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one
SMILESO=C1COCC12OC1CC(c3ccccc3)[C@@H]2c2ccc(F)cc21
InChIInChI=1S/C20H17FO3/c21-13-6-7-14-16(8-13)17-9-15(12-4-2-1-3-5-12)19(14)20(24-17)11-23-10-18(20)22/h1-8,15,17,19H,9-11H2/t15?,17?,19-,20?/m0/s1
InChIKeyNFTMQADTIITKHO-ZQEOKTMCSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one
CID 138971839
(1R)-3-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one
CID 138971840
(1'S,6'R,8'R)-2'-phenylmethoxyspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodec-11-ene]-9'-one
CID 135023502
(1R)-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-10,2'-cyclopentane]-1'-one
CID 138971838
(1R)-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-10,2'-cyclohexane]-1'-one
CID 138971843
(1'S,3E,4R,6'S,9'R)-3-benzylidenespiro[1,2-dihydronaphthalene-4,10'-11,12-dioxatricyclo[7.2.1.01,6]dodecane]-8'-one
CID 139090335
[(1S,4S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10045190
[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10384980
[(1R,4S)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10429727
1-(2-hydroxy-1-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-yl)ethanone
CID 70598605
(1'S,3E,6'R,9'R)-3-benzylidenespiro[1,2-dihydronaphthalene-4,10'-11,12-dioxatricyclo[7.2.1.01,6]dodecane]-8'-one
CID 11257681
(1'S,2'S,6'R,8'R)-2'-phenylmethoxyspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodec-11-ene]-9'-one
CID 72197594

Frequently Asked Questions

What is the IUPAC name of (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one?
The IUPAC name of (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one (CID 138971841) is (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one.
What is the SMILES notation for (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one?
The canonical SMILES for (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one is O=C1COCC12OC1CC(c3ccccc3)[C@@H]2c2ccc(F)cc21.
What is the InChIKey of (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one?
The InChIKey is NFTMQADTIITKHO-ZQEOKTMCSA-N. The full InChI is InChI=1S/C20H17FO3/c21-13-6-7-14-16(8-13)17-9-15(12-4-2-1-3-5-12)19(14)20(24-17)11-23-10-18(20)22/h1-8,15,17,19H,9-11H2/t15?,17?,19-,20?/m0/s1.
What are the key properties of (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one?
(1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one has a molecular weight of 324.35 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-fluoro-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,4'-oxolane]-3'-one is sourced from PubChem (CID 138971841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).