1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid

C17H14F2O2 — CID 65407201

IUPAC1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Cc2cc(F)ccc2F)CCc2ccccc21
InChIInChI=1S/C17H14F2O2/c18-13-5-6-15(19)12(9-13)10-17(16(20)21)8-7-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyGIUHDEWIUQVKDH-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.48
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid

1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 65407201) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
PubChem CID65407201
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Cc2cc(F)ccc2F)CCc2ccccc21
InChIInChI=1S/C17H14F2O2/c18-13-5-6-15(19)12(9-13)10-17(16(20)21)8-7-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyGIUHDEWIUQVKDH-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 74809
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1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Indancarboxylic Acid
CID 575777
3-(4-Fluorophenyl)-2-phenylpropanoic acid
CID 3151587
Fluorene-9-acetic acid
CID 94852
2,3-Dihydro-1,1-dimethyl-6-tert-butyl-1H-indene-4-acetic acid
CID 618585
2,2-Diphenylbutyric acid
CID 77902
Benzeneacetic acid, alpha-phenyl-alpha-propyl-
CID 96732
1-Indanacetic acid
CID 96501
9H-Fluorene-9,9-dipropanoic acid
CID 20477

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid (CID 65407201) is 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(Cc2cc(F)ccc2F)CCc2ccccc21.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is GIUHDEWIUQVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-13-5-6-15(19)12(9-13)10-17(16(20)21)8-7-11-3-1-2-4-14(11)17/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid?
1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 288.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 65407201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).