6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione

C14H11FO3 — CID 102105161

IUPAC6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
SMILESCOC12C=CC(=O)CC1C(=O)c1ccc(F)cc12
InChIInChI=1S/C14H11FO3/c1-18-14-5-4-9(16)7-12(14)13(17)10-3-2-8(15)6-11(10)14/h2-6,12H,7H2,1H3
InChIKeyUACUACNBRNHPKN-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.01
Rot. Bonds1

About 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione

6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione (PubChem CID 102105161) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione.

Molecular Properties

Compound Name6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
PubChem CID102105161
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione
SMILESCOC12C=CC(=O)CC1C(=O)c1ccc(F)cc12
InChIInChI=1S/C14H11FO3/c1-18-14-5-4-9(16)7-12(14)13(17)10-3-2-8(15)6-11(10)14/h2-6,12H,7H2,1H3
InChIKeyUACUACNBRNHPKN-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione 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

6-fluoro-2,4,4-trimethyl-3H-isoquinolin-1-one
CID 177485750
7-fluoro-3-methoxy-2,3-dihydrochromen-4-one
CID 130039343
5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
2-chloro-5-fluoro-2,3-dihydroinden-1-one
CID 116531382
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
CID 175010012
7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
CID 102972282
tert-butyl 2-[(6-fluoro-4,4-dimethyl-1,3-dioxonaphthalene-2-carbonyl)amino]acetate
CID 91327592

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
The IUPAC name of 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione (CID 102105161) is 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione.
What is the SMILES notation for 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
The canonical SMILES for 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione is COC12C=CC(=O)CC1C(=O)c1ccc(F)cc12.
What is the InChIKey of 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
The InChIKey is UACUACNBRNHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-18-14-5-4-9(16)7-12(14)13(17)10-3-2-8(15)6-11(10)14/h2-6,12H,7H2,1H3.
What are the key properties of 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione?
6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione has a molecular weight of 246.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4a-methoxy-1,9a-dihydrofluorene-2,9-dione is sourced from PubChem (CID 102105161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).