4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

C10H9FO2 — CID 55264514

IUPAC4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2c(F)cccc21
InChIInChI=1S/C10H9FO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5H2,(H,12,13)
InChIKeyMXWHWNUAOFXYAS-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.94
Rot. Bonds1

About 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid

4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 55264514) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID55264514
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2c(F)cccc21
InChIInChI=1S/C10H9FO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5H2,(H,12,13)
InChIKeyMXWHWNUAOFXYAS-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylpropionic acid
CID 10296
2-Phenylbutyric Acid
CID 7012
2-(4-Fluorophenyl)acetic acid
CID 9837
2-Cyclopentyl-2-phenylacetic acid
CID 98014
Benzeneacetic acid, 2-fluoro-
CID 67979
3-Fluorophenylacetic acid
CID 67617
9-Carboxyfluorene
CID 74809
(+-)-Cicloprofen
CID 37589
3-Methyl-2-phenylbutanoic acid
CID 19024
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
CID 99815
2-(2-Isopropyl-5-indanyl)propionic acid
CID 68769

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 55264514) is 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)C1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is MXWHWNUAOFXYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-3-1-2-6-7(9)4-5-8(6)10(12)13/h1-3,8H,4-5H2,(H,12,13).
What are the key properties of 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 180.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 55264514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).