3-(fluoromethyl)cinnoline

C9H7FN2 — CID 141154646

IUPAC3-(fluoromethyl)cinnoline
SMILESFCc1cc2ccccc2nn1
InChIInChI=1S/C9H7FN2/c10-6-8-5-7-3-1-2-4-9(7)12-11-8/h1-5H,6H2
InChIKeyJZBBAMHBLOUFJB-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.10
Rot. Bonds1

About 3-(fluoromethyl)cinnoline

3-(fluoromethyl)cinnoline (PubChem CID 141154646) has the molecular formula C9H7FN2 and a molecular weight of 162.17 g/mol. Its IUPAC name is 3-(fluoromethyl)cinnoline.

Molecular Properties

Compound Name3-(fluoromethyl)cinnoline
PubChem CID141154646
Molecular FormulaC9H7FN2
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Name3-(fluoromethyl)cinnoline
SMILESFCc1cc2ccccc2nn1
InChIInChI=1S/C9H7FN2/c10-6-8-5-7-3-1-2-4-9(7)12-11-8/h1-5H,6H2
InChIKeyJZBBAMHBLOUFJB-UHFFFAOYSA-N
XLogP2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cinnolin-3-ylcinnoline
CID 12908797
3-iodocinnoline
CID 12908769
ethyl 2-cinnolin-3-ylacetate
CID 150533502
acridine;argon
CID 157415582
3-(3-piperazin-1-ylpropyl)cinnoline
CID 116988016
acridine
CID 21226281
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020
cinnoline-3-carboxylic acid;ethane
CID 90831322
N-prop-2-enylcinnolin-3-amine
CID 69404307

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)cinnoline?
The IUPAC name of 3-(fluoromethyl)cinnoline (CID 141154646) is 3-(fluoromethyl)cinnoline.
What is the SMILES notation for 3-(fluoromethyl)cinnoline?
The canonical SMILES for 3-(fluoromethyl)cinnoline is FCc1cc2ccccc2nn1.
What is the InChIKey of 3-(fluoromethyl)cinnoline?
The InChIKey is JZBBAMHBLOUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2/c10-6-8-5-7-3-1-2-4-9(7)12-11-8/h1-5H,6H2.
What are the key properties of 3-(fluoromethyl)cinnoline?
3-(fluoromethyl)cinnoline has a molecular weight of 162.17 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)cinnoline is sourced from PubChem (CID 141154646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).