methyl 7-fluoro-1H-indene-1-carboxylate

C11H9FO2 — CID 175481082

IUPACmethyl 7-fluoro-1H-indene-1-carboxylate
SMILESCOC(=O)C1C=Cc2cccc(F)c21
InChIInChI=1S/C11H9FO2/c1-14-11(13)8-6-5-7-3-2-4-9(12)10(7)8/h2-6,8H,1H3
InChIKeyLMKRTHWBVQXONQ-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.11
Rot. Bonds1

About methyl 7-fluoro-1H-indene-1-carboxylate

methyl 7-fluoro-1H-indene-1-carboxylate (PubChem CID 175481082) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is methyl 7-fluoro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1H-indene-1-carboxylate
PubChem CID175481082
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Namemethyl 7-fluoro-1H-indene-1-carboxylate
SMILESCOC(=O)C1C=Cc2cccc(F)c21
InChIInChI=1S/C11H9FO2/c1-14-11(13)8-6-5-7-3-2-4-9(12)10(7)8/h2-6,8H,1H3
InChIKeyLMKRTHWBVQXONQ-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
CID 3885640
methyl 1,2-dihydroquinoline-2-carboxylate;hydrochloride
CID 141352867
methyl 8-chloro-1-(2-fluorophenyl)-5H-2-benzazepine-5-carboxylate
CID 13271774
methyl 2-(3,5-dichlorophenyl)-3-fluorobenzoate
CID 134623804
tetramethyl cyclohexa-2,5-diene-1,2,3,4-tetracarboxylate
CID 101243540
methyl 1-(2-fluoro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694512
methyl 2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxylate
CID 72747594
methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 7200386
methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
CID 22574219
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate
CID 165462889
methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate
CID 90379297

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-1H-indene-1-carboxylate?
The IUPAC name of methyl 7-fluoro-1H-indene-1-carboxylate (CID 175481082) is methyl 7-fluoro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 7-fluoro-1H-indene-1-carboxylate is COC(=O)C1C=Cc2cccc(F)c21.
What is the InChIKey of methyl 7-fluoro-1H-indene-1-carboxylate?
The InChIKey is LMKRTHWBVQXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c1-14-11(13)8-6-5-7-3-2-4-9(12)10(7)8/h2-6,8H,1H3.
What are the key properties of methyl 7-fluoro-1H-indene-1-carboxylate?
methyl 7-fluoro-1H-indene-1-carboxylate has a molecular weight of 192.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1H-indene-1-carboxylate is sourced from PubChem (CID 175481082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).