2,2-difluoro-2-(1H-indol-2-yl)acetic acid

C10H7F2NO2 — CID 84723265

IUPAC2,2-difluoro-2-(1H-indol-2-yl)acetic acid
SMILESO=C(O)C(F)(F)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H7F2NO2/c11-10(12,9(14)15)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H,(H,14,15)
InChIKeyVEUIIAXFLSVKLJ-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.34
Rot. Bonds2

About 2,2-difluoro-2-(1H-indol-2-yl)acetic acid

2,2-difluoro-2-(1H-indol-2-yl)acetic acid (PubChem CID 84723265) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1H-indol-2-yl)acetic acid
PubChem CID84723265
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name2,2-difluoro-2-(1H-indol-2-yl)acetic acid
SMILESO=C(O)C(F)(F)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H7F2NO2/c11-10(12,9(14)15)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H,(H,14,15)
InChIKeyVEUIIAXFLSVKLJ-UHFFFAOYSA-N
XLogP2.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid
CID 88748048
2-(1H-indol-2-yl)-2-methylpentanedioic acid
CID 142115470
2-[[benzyl(hydroxy)phosphoryl]amino]-2-(1H-indol-2-yl)propanoic acid
CID 54197699
2-methyl-1H-indole;oxalic acid
CID 161360574
ethane;1H-indole-2-carboxylic acid
CID 91052830
carbamic acid;1H-indol-2-ol
CID 175329326
2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
CID 117195778
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
cyclohexa-3,5-diene-1,2-dione;1H-indole-2-carboxylic acid
CID 22129260
1H-indole-2-carbothioic S-acid
CID 4713092
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1H-indol-2-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1H-indol-2-yl)acetic acid (CID 84723265) is 2,2-difluoro-2-(1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1H-indol-2-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1H-indol-2-yl)acetic acid is O=C(O)C(F)(F)c1cc2ccccc2[nH]1.
What is the InChIKey of 2,2-difluoro-2-(1H-indol-2-yl)acetic acid?
The InChIKey is VEUIIAXFLSVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c11-10(12,9(14)15)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H,(H,14,15).
What are the key properties of 2,2-difluoro-2-(1H-indol-2-yl)acetic acid?
2,2-difluoro-2-(1H-indol-2-yl)acetic acid has a molecular weight of 211.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1H-indol-2-yl)acetic acid is sourced from PubChem (CID 84723265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).