3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C14H18FNO2 — CID 66827063

IUPAC3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)(F)CNC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H18FNO2/c1-14(2,15)8-16-12-6-5-9-3-4-10(13(17)18)7-11(9)12/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyYIRBXYXZRPUBRX-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.71
Rot. Bonds4

About 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66827063) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66827063
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)(F)CNC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C14H18FNO2/c1-14(2,15)8-16-12-6-5-9-3-4-10(13(17)18)7-11(9)12/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyYIRBXYXZRPUBRX-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66827063) is 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is CC(C)(F)CNC1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is YIRBXYXZRPUBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,15)8-16-12-6-5-9-3-4-10(13(17)18)7-11(9)12/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66827063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).