6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile

C13H10F2N2 — CID 142184146

IUPAC6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile
SMILESCC(C)c1nc2cc(F)c(F)cc2cc1C#N
InChIInChI=1S/C13H10F2N2/c1-7(2)13-9(6-16)3-8-4-10(14)11(15)5-12(8)17-13/h3-5,7H,1-2H3
InChIKeyDUEGRMIMUOEJOT-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.51
Rot. Bonds1

About 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile

6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile (PubChem CID 142184146) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile
PubChem CID142184146
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC Name6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile
SMILESCC(C)c1nc2cc(F)c(F)cc2cc1C#N
InChIInChI=1S/C13H10F2N2/c1-7(2)13-9(6-16)3-8-4-10(14)11(15)5-12(8)17-13/h3-5,7H,1-2H3
InChIKeyDUEGRMIMUOEJOT-UHFFFAOYSA-N
XLogP3.51
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-2-methylquinoline-3-carbonitrile
CID 154554859
5-isocyano-2,6-di(propan-2-yl)pyridine-3-carbonitrile
CID 140627573
3-fluoro-6-methyl-2-propan-2-ylquinoline
CID 138719468
3-fluoro-2-methylquinoline-7-carbonitrile
CID 174882277
2-propan-2-ylpyridine-3,5-dicarbonitrile
CID 10261540
2-fluoro-4-propan-2-ylbenzonitrile
CID 59836617
3-fluoronaphthalene-2-carbonitrile
CID 53485645
6,7-difluoro-2-[[(2S)-piperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 67090654
5,6-difluoro-1,3-benzothiazole-2-carbonitrile
CID 10845540
3-(6,7-difluoroquinolin-2-yl)propanenitrile
CID 82241948
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
CID 122607615

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile?
The IUPAC name of 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile (CID 142184146) is 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile.
What is the SMILES notation for 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile?
The canonical SMILES for 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile is CC(C)c1nc2cc(F)c(F)cc2cc1C#N.
What is the InChIKey of 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile?
The InChIKey is DUEGRMIMUOEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2/c1-7(2)13-9(6-16)3-8-4-10(14)11(15)5-12(8)17-13/h3-5,7H,1-2H3.
What are the key properties of 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile?
6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile has a molecular weight of 232.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile is sourced from PubChem (CID 142184146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).