2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid

C12H11FO2 — CID 149279625

IUPAC2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)c2ccc(F)cc2C1
InChIInChI=1S/C12H11FO2/c1-7-4-8-5-9(13)2-3-10(8)11(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChIKeyXSRUTSQSDHAUCH-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.63
Rot. Bonds2

About 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid

2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid (PubChem CID 149279625) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid
PubChem CID149279625
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid
SMILESCC1=C(CC(=O)O)c2ccc(F)cc2C1
InChIInChI=1S/C12H11FO2/c1-7-4-8-5-9(13)2-3-10(8)11(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChIKeyXSRUTSQSDHAUCH-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
CID 12051709
1-(diaminomethylidene)-2-[2-(5-fluoro-2-methyl-3H-inden-1-yl)ethyl]guanidine
CID 157399427
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(7-methoxy-2-methyl-3H-inden-1-yl)acetic acid
CID 22007114
2-[(3E)-6-fluoro-2-methyl-3-[(4-methylphenyl)methylidene]inden-1-yl]acetic acid
CID 59167151
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid
CID 162462180
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid (CID 149279625) is 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid is CC1=C(CC(=O)O)c2ccc(F)cc2C1.
What is the InChIKey of 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid?
The InChIKey is XSRUTSQSDHAUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-7-4-8-5-9(13)2-3-10(8)11(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid?
2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid has a molecular weight of 206.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-3H-inden-1-yl)acetic acid is sourced from PubChem (CID 149279625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).