5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one

C11H11FO2 — CID 125494608

IUPAC5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one
SMILESCOCc1c(F)ccc2c1CCC2=O
InChIInChI=1S/C11H11FO2/c1-14-6-9-7-3-5-11(13)8(7)2-4-10(9)12/h2,4H,3,5-6H2,1H3
InChIKeyRIVCJCMUQRTSAF-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.10
Rot. Bonds2

About 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one

5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one (PubChem CID 125494608) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one
PubChem CID125494608
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one
SMILESCOCc1c(F)ccc2c1CCC2=O
InChIInChI=1S/C11H11FO2/c1-14-6-9-7-3-5-11(13)8(7)2-4-10(9)12/h2,4H,3,5-6H2,1H3
InChIKeyRIVCJCMUQRTSAF-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one (CID 125494608) is 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one is COCc1c(F)ccc2c1CCC2=O.
What is the InChIKey of 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one?
The InChIKey is RIVCJCMUQRTSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-14-6-9-7-3-5-11(13)8(7)2-4-10(9)12/h2,4H,3,5-6H2,1H3.
What are the key properties of 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one?
5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one has a molecular weight of 194.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(methoxymethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 125494608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).