6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile

C8H9FN2 — CID 163900908

IUPAC6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
SMILESCNC1=C(C#N)C(F)CC=C1
InChIInChI=1S/C8H9FN2/c1-11-8-4-2-3-7(9)6(8)5-10/h2,4,7,11H,3H2,1H3
InChIKeyQJUFHGGRZVFUFV-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.28
Rot. Bonds1

About 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile

6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 163900908) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
PubChem CID163900908
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
SMILESCNC1=C(C#N)C(F)CC=C1
InChIInChI=1S/C8H9FN2/c1-11-8-4-2-3-7(9)6(8)5-10/h2,4,7,11H,3H2,1H3
InChIKeyQJUFHGGRZVFUFV-UHFFFAOYSA-N
XLogP1.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile (CID 163900908) is 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile is CNC1=C(C#N)C(F)CC=C1.
What is the InChIKey of 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is QJUFHGGRZVFUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-11-8-4-2-3-7(9)6(8)5-10/h2,4,7,11H,3H2,1H3.
What are the key properties of 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 152.17 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 163900908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).