(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate

C11H10F2O3 — CID 174794278

IUPAC(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate
SMILESO=COCC1(O)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C11H10F2O3/c12-9-1-7-3-11(15,5-16-6-14)4-8(7)2-10(9)13/h1-2,6,15H,3-5H2
InChIKeyZQRMZDPQOKIXNL-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.97
Rot. Bonds3

About (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate

(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate (PubChem CID 174794278) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate.

Molecular Properties

Compound Name(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate
PubChem CID174794278
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate
SMILESO=COCC1(O)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C11H10F2O3/c12-9-1-7-3-11(15,5-16-6-14)4-8(7)2-10(9)13/h1-2,6,15H,3-5H2
InChIKeyZQRMZDPQOKIXNL-UHFFFAOYSA-N
XLogP0.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate?
The IUPAC name of (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate (CID 174794278) is (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate.
What is the SMILES notation for (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate?
The canonical SMILES for (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate is O=COCC1(O)Cc2cc(F)c(F)cc2C1.
What is the InChIKey of (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate?
The InChIKey is ZQRMZDPQOKIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-9-1-7-3-11(15,5-16-6-14)4-8(7)2-10(9)13/h1-2,6,15H,3-5H2.
What are the key properties of (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate?
(5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate has a molecular weight of 228.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-2-hydroxy-1,3-dihydroinden-2-yl)methyl formate is sourced from PubChem (CID 174794278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).