1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid

C16H20FNO2 — CID 83066845

IUPAC1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(NC2CCCCC2)CCc2c(F)cccc21
InChIInChI=1S/C16H20FNO2/c17-14-8-4-7-13-12(14)9-10-16(13,15(19)20)18-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2,(H,19,20)
InChIKeyJPZSQSWOUFRKKY-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.97
Rot. Bonds3

About 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid

1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 83066845) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID83066845
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(NC2CCCCC2)CCc2c(F)cccc21
InChIInChI=1S/C16H20FNO2/c17-14-8-4-7-13-12(14)9-10-16(13,15(19)20)18-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2,(H,19,20)
InChIKeyJPZSQSWOUFRKKY-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 83066845) is 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(NC2CCCCC2)CCc2c(F)cccc21.
What is the InChIKey of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is JPZSQSWOUFRKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-8-4-7-13-12(14)9-10-16(13,15(19)20)18-11-5-2-1-3-6-11/h4,7-8,11,18H,1-3,5-6,9-10H2,(H,19,20).
What are the key properties of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 83066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).