7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one

C11H11FO2 — CID 174536730

IUPAC7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one
SMILESCOC(F)c1cccc2c1C(=O)CC2
InChIInChI=1S/C11H11FO2/c1-14-11(12)8-4-2-3-7-5-6-9(13)10(7)8/h2-4,11H,5-6H2,1H3
InChIKeyCNDLKIMWEFTPKL-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.43
Rot. Bonds2

About 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one

7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one (PubChem CID 174536730) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one
PubChem CID174536730
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one
SMILESCOC(F)c1cccc2c1C(=O)CC2
InChIInChI=1S/C11H11FO2/c1-14-11(12)8-4-2-3-7-5-6-9(13)10(7)8/h2-4,11H,5-6H2,1H3
InChIKeyCNDLKIMWEFTPKL-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one (CID 174536730) is 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one is COC(F)c1cccc2c1C(=O)CC2.
What is the InChIKey of 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one?
The InChIKey is CNDLKIMWEFTPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-14-11(12)8-4-2-3-7-5-6-9(13)10(7)8/h2-4,11H,5-6H2,1H3.
What are the key properties of 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one?
7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one has a molecular weight of 194.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[fluoro(methoxy)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 174536730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).