(8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one

C13H13FO — CID 134949288

IUPAC(8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one
SMILESCC12CC(=O)C[C@H](C1)c1cc(F)ccc12
InChIInChI=1S/C13H13FO/c1-13-6-8(4-10(15)7-13)11-5-9(14)2-3-12(11)13/h2-3,5,8H,4,6-7H2,1H3/t8-,13?/m1/s1
InChIKeyPCWUJLQUEPZNOE-UOGPZTOASA-N
MW204.24 g/mol
LogP2.93
Rot. Bonds

About (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one

(8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one (PubChem CID 134949288) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one.

Molecular Properties

Compound Name(8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one
PubChem CID134949288
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name(8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one
SMILESCC12CC(=O)C[C@H](C1)c1cc(F)ccc12
InChIInChI=1S/C13H13FO/c1-13-6-8(4-10(15)7-13)11-5-9(14)2-3-12(11)13/h2-3,5,8H,4,6-7H2,1H3/t8-,13?/m1/s1
InChIKeyPCWUJLQUEPZNOE-UOGPZTOASA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one with MolForge

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Related Compounds

3-Deoxyestrone
CID 5882
6-Fluoro-2-methylindan-1-one
CID 11446522
5-Acetylindane
CID 138158
1-methyl-2,3-dihydro-1H-inden-2-one
CID 583096
7-Fluoro-3-phenyl-1-indanone
CID 3717938
1,1,3,3-Tetramethyl-2-indanone
CID 21889
2,3-dihydro-2,2-dimethyl-5-fluoro-1H-inden-1-one
CID 55265304
4-Fluoroestra-1,3,5-(10)-trien-17-one
CID 13371413
3a,9b-Dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one
CID 608004
3-(4-Fluorophenyl)indan-1-one
CID 3017788
(8xi,9xi,13xi,14xi)-Estra-1,3,5(10)-trien-17-one
CID 4594375
4-(4-fluorophenyl)-6-[(E)-2-(4-fluorophenyl)ethenyl]-1,5-dimethylbicyclo[3.2.1]oct-6-en-2-one
CID 16759024

Frequently Asked Questions

What is the IUPAC name of (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one?
The IUPAC name of (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one (CID 134949288) is (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one.
What is the SMILES notation for (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one?
The canonical SMILES for (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one is CC12CC(=O)C[C@H](C1)c1cc(F)ccc12.
What is the InChIKey of (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one?
The InChIKey is PCWUJLQUEPZNOE-UOGPZTOASA-N. The full InChI is InChI=1S/C13H13FO/c1-13-6-8(4-10(15)7-13)11-5-9(14)2-3-12(11)13/h2-3,5,8H,4,6-7H2,1H3/t8-,13?/m1/s1.
What are the key properties of (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one?
(8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one has a molecular weight of 204.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-fluoro-1-methyltricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-one is sourced from PubChem (CID 134949288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).