fluoro 2-(2-methyl-3H-inden-1-yl)acetate

C12H11FO2 — CID 174855642

IUPACfluoro 2-(2-methyl-3H-inden-1-yl)acetate
SMILESCC1=C(CC(=O)OF)c2ccccc2C1
InChIInChI=1S/C12H11FO2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(14)15-13/h2-5H,6-7H2,1H3
InChIKeyGGYJWCNTZLMDKA-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.83
Rot. Bonds2

About fluoro 2-(2-methyl-3H-inden-1-yl)acetate

fluoro 2-(2-methyl-3H-inden-1-yl)acetate (PubChem CID 174855642) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is fluoro 2-(2-methyl-3H-inden-1-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(2-methyl-3H-inden-1-yl)acetate
PubChem CID174855642
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Namefluoro 2-(2-methyl-3H-inden-1-yl)acetate
SMILESCC1=C(CC(=O)OF)c2ccccc2C1
InChIInChI=1S/C12H11FO2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(14)15-13/h2-5H,6-7H2,1H3
InChIKeyGGYJWCNTZLMDKA-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-methyl-1H-indene
CID 15422807
2,3-dimethyl-1H-indene;ethane
CID 54108652
lithium;2,3-dimethyl-1H-indene;hydride
CID 174422478
9H-fluorene;propanoic acid
CID 67831567
9H-fluorene;methyl acetate
CID 143080534
dichlorozirconium;2,3-dimethyl-1H-indene
CID 174258147
2-(2,7-dimethyl-3H-inden-1-yl)acetic acid
CID 175914282
acetic acid;azane;9H-fluorene
CID 174966259
ethane;9H-fluorene;propanoic acid
CID 90836645
2-(7-methoxy-2-methyl-3H-inden-1-yl)acetic acid
CID 22007114
methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate
CID 61336123
(3-methyl-1H-inden-2-yl) acetate
CID 101441379

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-methyl-3H-inden-1-yl)acetate?
The IUPAC name of fluoro 2-(2-methyl-3H-inden-1-yl)acetate (CID 174855642) is fluoro 2-(2-methyl-3H-inden-1-yl)acetate.
What is the SMILES notation for fluoro 2-(2-methyl-3H-inden-1-yl)acetate?
The canonical SMILES for fluoro 2-(2-methyl-3H-inden-1-yl)acetate is CC1=C(CC(=O)OF)c2ccccc2C1.
What is the InChIKey of fluoro 2-(2-methyl-3H-inden-1-yl)acetate?
The InChIKey is GGYJWCNTZLMDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-8-6-9-4-2-3-5-10(9)11(8)7-12(14)15-13/h2-5H,6-7H2,1H3.
What are the key properties of fluoro 2-(2-methyl-3H-inden-1-yl)acetate?
fluoro 2-(2-methyl-3H-inden-1-yl)acetate has a molecular weight of 206.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-methyl-3H-inden-1-yl)acetate is sourced from PubChem (CID 174855642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).