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

C11H10F2O3 — CID 105485221

IUPAC2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)C(F)(F)C1CCc2cccc(O)c21
InChIInChI=1S/C11H10F2O3/c12-11(13,10(15)16)7-5-4-6-2-1-3-8(14)9(6)7/h1-3,7,14H,4-5H2,(H,15,16)
InChIKeyKGLNXEFHAXAMGH-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.14
Rot. Bonds2

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

2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 105485221) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID105485221
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESO=C(O)C(F)(F)C1CCc2cccc(O)c21
InChIInChI=1S/C11H10F2O3/c12-11(13,10(15)16)7-5-4-6-2-1-3-8(14)9(6)7/h1-3,7,14H,4-5H2,(H,15,16)
InChIKeyKGLNXEFHAXAMGH-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
2-[7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]propan-2-yl 2-methylprop-2-enoate
CID 89474742
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474733
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
CID 129390412
8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115056927
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
7-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 136565869
2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetaldehyde
CID 112546950
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
[(1S,2R)-8-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151291625

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 105485221) is 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid is O=C(O)C(F)(F)C1CCc2cccc(O)c21.
What is the InChIKey of 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is KGLNXEFHAXAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-11(13,10(15)16)7-5-4-6-2-1-3-8(14)9(6)7/h1-3,7,14H,4-5H2,(H,15,16).
What are the key properties of 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 228.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 105485221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).