4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile

C11HF4N3 — CID 174570499

IUPAC4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile
SMILESN#Cc1nc2cc(F)c(F)c(F)c2c(F)c1C#N
InChIInChI=1S/C11HF4N3/c12-5-1-6-8(11(15)10(5)14)9(13)4(2-16)7(3-17)18-6/h1H
InChIKeyRRNYWPAKGAUELV-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.53
Rot. Bonds

About 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile

4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile (PubChem CID 174570499) has the molecular formula C11HF4N3 and a molecular weight of 251.14 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile.

Molecular Properties

Compound Name4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile
PubChem CID174570499
Molecular FormulaC11HF4N3
Molecular Weight251.14 g/mol
Exact Mass251.01
IUPAC Name4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile
SMILESN#Cc1nc2cc(F)c(F)c(F)c2c(F)c1C#N
InChIInChI=1S/C11HF4N3/c12-5-1-6-8(11(15)10(5)14)9(13)4(2-16)7(3-17)18-6/h1H
InChIKeyRRNYWPAKGAUELV-UHFFFAOYSA-N
XLogP2.53
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile?
The IUPAC name of 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile (CID 174570499) is 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile.
What is the SMILES notation for 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile?
The canonical SMILES for 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile is N#Cc1nc2cc(F)c(F)c(F)c2c(F)c1C#N.
What is the InChIKey of 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile?
The InChIKey is RRNYWPAKGAUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HF4N3/c12-5-1-6-8(11(15)10(5)14)9(13)4(2-16)7(3-17)18-6/h1H.
What are the key properties of 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile?
4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile has a molecular weight of 251.14 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoroquinoline-2,3-dicarbonitrile is sourced from PubChem (CID 174570499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).