3,5-difluoro-4-quinolin-3-yloxybenzonitrile

C16H8F2N2O — CID 107387129

IUPAC3,5-difluoro-4-quinolin-3-yloxybenzonitrile
SMILESN#Cc1cc(F)c(Oc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C16H8F2N2O/c17-13-5-10(8-19)6-14(18)16(13)21-12-7-11-3-1-2-4-15(11)20-9-12/h1-7,9H
InChIKeyHGEWJDHIFKZCFG-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.18
Rot. Bonds2

About 3,5-difluoro-4-quinolin-3-yloxybenzonitrile

3,5-difluoro-4-quinolin-3-yloxybenzonitrile (PubChem CID 107387129) has the molecular formula C16H8F2N2O and a molecular weight of 282.25 g/mol. Its IUPAC name is 3,5-difluoro-4-quinolin-3-yloxybenzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-quinolin-3-yloxybenzonitrile
PubChem CID107387129
Molecular FormulaC16H8F2N2O
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name3,5-difluoro-4-quinolin-3-yloxybenzonitrile
SMILESN#Cc1cc(F)c(Oc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C16H8F2N2O/c17-13-5-10(8-19)6-14(18)16(13)21-12-7-11-3-1-2-4-15(11)20-9-12/h1-7,9H
InChIKeyHGEWJDHIFKZCFG-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 3,5-difluoro-4-quinolin-3-yloxybenzonitrile?
The IUPAC name of 3,5-difluoro-4-quinolin-3-yloxybenzonitrile (CID 107387129) is 3,5-difluoro-4-quinolin-3-yloxybenzonitrile.
What is the SMILES notation for 3,5-difluoro-4-quinolin-3-yloxybenzonitrile?
The canonical SMILES for 3,5-difluoro-4-quinolin-3-yloxybenzonitrile is N#Cc1cc(F)c(Oc2cnc3ccccc3c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-quinolin-3-yloxybenzonitrile?
The InChIKey is HGEWJDHIFKZCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N2O/c17-13-5-10(8-19)6-14(18)16(13)21-12-7-11-3-1-2-4-15(11)20-9-12/h1-7,9H.
What are the key properties of 3,5-difluoro-4-quinolin-3-yloxybenzonitrile?
3,5-difluoro-4-quinolin-3-yloxybenzonitrile 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 3,5-difluoro-4-quinolin-3-yloxybenzonitrile is sourced from PubChem (CID 107387129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).