[2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate

C11H11FO2 — CID 174954380

IUPAC[2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate
SMILESO=COC(F)C1Cc2ccccc2C1
InChIInChI=1S/C11H11FO2/c12-11(14-7-13)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10-11H,5-6H2
InChIKeyKYZZYEQUTXZXQJ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.87
Rot. Bonds3

About [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate

[2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate (PubChem CID 174954380) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate.

Molecular Properties

Compound Name[2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate
PubChem CID174954380
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name[2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate
SMILESO=COC(F)C1Cc2ccccc2C1
InChIInChI=1S/C11H11FO2/c12-11(14-7-13)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10-11H,5-6H2
InChIKeyKYZZYEQUTXZXQJ-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate?
The IUPAC name of [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate (CID 174954380) is [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate.
What is the SMILES notation for [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate?
The canonical SMILES for [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate is O=COC(F)C1Cc2ccccc2C1.
What is the InChIKey of [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate?
The InChIKey is KYZZYEQUTXZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-11(14-7-13)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10-11H,5-6H2.
What are the key properties of [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate?
[2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate has a molecular weight of 194.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1H-inden-2-yl(fluoro)methyl] formate is sourced from PubChem (CID 174954380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).