(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate

C11H9FO3 — CID 175010012

IUPAC(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
SMILESCC(=O)OC1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H9FO3/c1-6(13)15-10-5-7-4-8(12)2-3-9(7)11(10)14/h2-4,10H,5H2,1H3
InChIKeyKFORYYVGKZDPEM-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.50
Rot. Bonds1

About (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate

(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate (PubChem CID 175010012) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate.

Molecular Properties

Compound Name(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
PubChem CID175010012
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
SMILESCC(=O)OC1Cc2cc(F)ccc2C1=O
InChIInChI=1S/C11H9FO3/c1-6(13)15-10-5-7-4-8(12)2-3-9(7)11(10)14/h2-4,10H,5H2,1H3
InChIKeyKFORYYVGKZDPEM-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methylbenzamide
CID 134118733
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 134115833
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
CID 4055527
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanoic acid
CID 116531411
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide
CID 134106187

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
The IUPAC name of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate (CID 175010012) is (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate.
What is the SMILES notation for (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
The canonical SMILES for (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate is CC(=O)OC1Cc2cc(F)ccc2C1=O.
What is the InChIKey of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
The InChIKey is KFORYYVGKZDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6(13)15-10-5-7-4-8(12)2-3-9(7)11(10)14/h2-4,10H,5H2,1H3.
What are the key properties of (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate?
(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate has a molecular weight of 208.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate is sourced from PubChem (CID 175010012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).