4-(3,5-difluorophenoxy)quinoline-3-carbonitrile

C16H8F2N2O — CID 62783932

IUPAC4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1cc(F)cc(F)c1
InChIInChI=1S/C16H8F2N2O/c17-11-5-12(18)7-13(6-11)21-16-10(8-19)9-20-15-4-2-1-3-14(15)16/h1-7,9H
InChIKeyUKALVFJNQDMWMO-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.18
Rot. Bonds2

About 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile

4-(3,5-difluorophenoxy)quinoline-3-carbonitrile (PubChem CID 62783932) has the molecular formula C16H8F2N2O and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
PubChem CID62783932
Molecular FormulaC16H8F2N2O
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1Oc1cc(F)cc(F)c1
InChIInChI=1S/C16H8F2N2O/c17-11-5-12(18)7-13(6-11)21-16-10(8-19)9-20-15-4-2-1-3-14(15)16/h1-7,9H
InChIKeyUKALVFJNQDMWMO-UHFFFAOYSA-N
XLogP4.18
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile (CID 62783932) is 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1Oc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile?
The InChIKey is UKALVFJNQDMWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N2O/c17-11-5-12(18)7-13(6-11)21-16-10(8-19)9-20-15-4-2-1-3-14(15)16/h1-7,9H.
What are the key properties of 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile?
4-(3,5-difluorophenoxy)quinoline-3-carbonitrile has a molecular weight of 282.25 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 62783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).