2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid

C12H10F2O2 — CID 105481593

IUPAC2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid
SMILESCc1cccc2c1C(C(F)(F)C(=O)O)=CC2
InChIInChI=1S/C12H10F2O2/c1-7-3-2-4-8-5-6-9(10(7)8)12(13,14)11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXXGQDNNKHNELPO-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.65
Rot. Bonds2

About 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid

2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid (PubChem CID 105481593) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid
PubChem CID105481593
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid
SMILESCc1cccc2c1C(C(F)(F)C(=O)O)=CC2
InChIInChI=1S/C12H10F2O2/c1-7-3-2-4-8-5-6-9(10(7)8)12(13,14)11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyXXGQDNNKHNELPO-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid (CID 105481593) is 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid is Cc1cccc2c1C(C(F)(F)C(=O)O)=CC2.
What is the InChIKey of 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid?
The InChIKey is XXGQDNNKHNELPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c1-7-3-2-4-8-5-6-9(10(7)8)12(13,14)11(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid?
2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid has a molecular weight of 224.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(7-methyl-3H-inden-1-yl)acetic acid is sourced from PubChem (CID 105481593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).