methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate

C12H11FO3 — CID 102259179

IUPACmethyl 3-(fluoromethoxy)-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(OCF)c2ccccc2C1
InChIInChI=1S/C12H11FO3/c1-15-12(14)10-6-8-4-2-3-5-9(8)11(10)16-7-13/h2-5H,6-7H2,1H3
InChIKeyXEAXGBJZRMNNBD-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.07
Rot. Bonds3

About methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate

methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate (PubChem CID 102259179) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(fluoromethoxy)-1H-indene-2-carboxylate
PubChem CID102259179
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Namemethyl 3-(fluoromethoxy)-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(OCF)c2ccccc2C1
InChIInChI=1S/C12H11FO3/c1-15-12(14)10-6-8-4-2-3-5-9(8)11(10)16-7-13/h2-5H,6-7H2,1H3
InChIKeyXEAXGBJZRMNNBD-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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9H-fluorene;propanoic acid
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4-methoxycarbonyl-2H-chromene-3-carboxylic acid
CID 169275789
ethyl 3-methyl-1,5-dihydro-2-benzoxepine-4-carboxylate
CID 102311170
acetic acid;azane;9H-fluorene
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9H-fluorene;methanesulfonic acid
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methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
CID 10825029
ethane;methyl 3-hydroxy-6H-benzo[c]chromene-2-carboxylate
CID 144556874
ethane;9H-fluorene;propanoic acid
CID 90836645
N-(5H-indeno[1,2-b]pyridin-4-yl)acetamide
CID 12025246

Frequently Asked Questions

What is the IUPAC name of methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate?
The IUPAC name of methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate (CID 102259179) is methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate?
The canonical SMILES for methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate is COC(=O)C1=C(OCF)c2ccccc2C1.
What is the InChIKey of methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate?
The InChIKey is XEAXGBJZRMNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-15-12(14)10-6-8-4-2-3-5-9(8)11(10)16-7-13/h2-5H,6-7H2,1H3.
What are the key properties of methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate?
methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate has a molecular weight of 222.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(fluoromethoxy)-1H-indene-2-carboxylate is sourced from PubChem (CID 102259179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).