1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile

C16H19FN2 — CID 83066660

IUPAC1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCc2c(F)cccc21
InChIInChI=1S/C16H19FN2/c17-15-8-4-7-14-13(15)9-10-16(14,11-18)19-12-5-2-1-3-6-12/h4,7-8,12,19H,1-3,5-6,9-10H2
InChIKeyVMACGUJTJLBHPL-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.41
Rot. Bonds2

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

1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile (PubChem CID 83066660) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
PubChem CID83066660
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCc2c(F)cccc21
InChIInChI=1S/C16H19FN2/c17-15-8-4-7-14-13(15)9-10-16(14,11-18)19-12-5-2-1-3-6-12/h4,7-8,12,19H,1-3,5-6,9-10H2
InChIKeyVMACGUJTJLBHPL-UHFFFAOYSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
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-carbonitrile?
The IUPAC name of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile (CID 83066660) is 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile is N#CC1(NC2CCCCC2)CCc2c(F)cccc21.
What is the InChIKey of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
The InChIKey is VMACGUJTJLBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-15-8-4-7-14-13(15)9-10-16(14,11-18)19-12-5-2-1-3-6-12/h4,7-8,12,19H,1-3,5-6,9-10H2.
What are the key properties of 1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
1-(cyclohexylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile has a molecular weight of 258.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 83066660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).