6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile

C10H9FN2 — CID 83635919

IUPAC6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile
SMILESN#CC1CCNc2ccc(F)cc21
InChIInChI=1S/C10H9FN2/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7,13H,3-4H2
InChIKeyJGWUCLKPYLFOGB-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.25
Rot. Bonds

About 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile

6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile (PubChem CID 83635919) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile.

Molecular Properties

Compound Name6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile
PubChem CID83635919
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile
SMILESN#CC1CCNc2ccc(F)cc21
InChIInChI=1S/C10H9FN2/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7,13H,3-4H2
InChIKeyJGWUCLKPYLFOGB-UHFFFAOYSA-N
XLogP2.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile?
The IUPAC name of 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile (CID 83635919) is 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile.
What is the SMILES notation for 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile?
The canonical SMILES for 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile is N#CC1CCNc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile?
The InChIKey is JGWUCLKPYLFOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-8-1-2-10-9(5-8)7(6-12)3-4-13-10/h1-2,5,7,13H,3-4H2.
What are the key properties of 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile?
6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile has a molecular weight of 176.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,3,4-tetrahydroquinoline-4-carbonitrile is sourced from PubChem (CID 83635919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).