1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile

C12H13FN2 — CID 116531183

IUPAC1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESCCNC1(C#N)CCc2cc(F)ccc21
InChIInChI=1S/C12H13FN2/c1-2-15-12(8-14)6-5-9-7-10(13)3-4-11(9)12/h3-4,7,15H,2,5-6H2,1H3
InChIKeyKSFQBKNFMDVQNN-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.10
Rot. Bonds2

About 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile

1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile (PubChem CID 116531183) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
PubChem CID116531183
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESCCNC1(C#N)CCc2cc(F)ccc21
InChIInChI=1S/C12H13FN2/c1-2-15-12(8-14)6-5-9-7-10(13)3-4-11(9)12/h3-4,7,15H,2,5-6H2,1H3
InChIKeyKSFQBKNFMDVQNN-UHFFFAOYSA-N
XLogP2.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile (CID 116531183) is 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile is CCNC1(C#N)CCc2cc(F)ccc21.
What is the InChIKey of 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
The InChIKey is KSFQBKNFMDVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-2-15-12(8-14)6-5-9-7-10(13)3-4-11(9)12/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile?
1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 116531183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).