6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one

C20H27FO3 — CID 123543372

IUPAC6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one
SMILESCC12CCC3C4CCC(=O)CC4=C(F)CC3C1CCC21OCCO1
InChIInChI=1S/C20H27FO3/c1-19-6-4-14-13-3-2-12(22)10-16(13)18(21)11-15(14)17(19)5-7-20(19)23-8-9-24-20/h13-15,17H,2-11H2,1H3
InChIKeyQKBBWFSJKNZLFE-UHFFFAOYSA-N
MW334.43 g/mol
LogP4.17
Rot. Bonds

About 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one

6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one (PubChem CID 123543372) has the molecular formula C20H27FO3 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one.

Molecular Properties

Compound Name6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one
PubChem CID123543372
Molecular FormulaC20H27FO3
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one
SMILESCC12CCC3C4CCC(=O)CC4=C(F)CC3C1CCC21OCCO1
InChIInChI=1S/C20H27FO3/c1-19-6-4-14-13-3-2-12(22)10-16(13)18(21)11-15(14)17(19)5-7-20(19)23-8-9-24-20/h13-15,17H,2-11H2,1H3
InChIKeyQKBBWFSJKNZLFE-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-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

10,13-Dimethyl-1,4,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2h)-one
CID 567207
(10'R,13'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-3'-one
CID 44263706
(2-fluoro-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
CID 3627280
Gon-5-ene-3,11,17-trione, 13-ethyl-, cyclic 3,17-bis(1,2-ethanediyl acetal)
CID 10362854
Pregn-5-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, cyclic 3-(1,2-ethanediyl acetal)
CID 20055315
3,3-Ethylenedioxyandrost-5-en-17-one
CID 10758834
Androst-5-ene-3,11,17-trione, Cyclic 3,17-Bis(1,2-ethanediyl acetal)
CID 11101154
(13S)-13-Ethyl-11-methylene-1,4,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-one
CID 169440323
CID 134934812
CID 134934812
(8'S,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',11'-dione
CID 14601725
(8'R,9'S,10'R,13'S,14'S)-6',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 68086706
(8R,9S,10R,13S,14S)-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one
CID 68172945

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one?
The IUPAC name of 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one (CID 123543372) is 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one.
What is the SMILES notation for 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one?
The canonical SMILES for 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one is CC12CCC3C4CCC(=O)CC4=C(F)CC3C1CCC21OCCO1.
What is the InChIKey of 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one?
The InChIKey is QKBBWFSJKNZLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FO3/c1-19-6-4-14-13-3-2-12(22)10-16(13)18(21)11-15(14)17(19)5-7-20(19)23-8-9-24-20/h13-15,17H,2-11H2,1H3.
What are the key properties of 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one?
6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one has a molecular weight of 334.43 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-13-methylspiro[1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-one is sourced from PubChem (CID 123543372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).