3,5-difluoro-4-naphthalen-2-yloxybenzonitrile

C17H9F2NO — CID 81287439

IUPAC3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
SMILESN#Cc1cc(F)c(Oc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C17H9F2NO/c18-15-7-11(10-20)8-16(19)17(15)21-14-6-5-12-3-1-2-4-13(12)9-14/h1-9H
InChIKeyVLQVWWGTMJRRNP-UHFFFAOYSA-N
MW281.26 g/mol
LogP4.78
Rot. Bonds2

About 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile

3,5-difluoro-4-naphthalen-2-yloxybenzonitrile (PubChem CID 81287439) has the molecular formula C17H9F2NO and a molecular weight of 281.26 g/mol. Its IUPAC name is 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
PubChem CID81287439
Molecular FormulaC17H9F2NO
Molecular Weight281.26 g/mol
Exact Mass281.07
IUPAC Name3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
SMILESN#Cc1cc(F)c(Oc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C17H9F2NO/c18-15-7-11(10-20)8-16(19)17(15)21-14-6-5-12-3-1-2-4-13(12)9-14/h1-9H
InChIKeyVLQVWWGTMJRRNP-UHFFFAOYSA-N
XLogP4.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283851
4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
CID 106485841
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
CID 81283852
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile?
The IUPAC name of 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile (CID 81287439) is 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile.
What is the SMILES notation for 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile?
The canonical SMILES for 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile is N#Cc1cc(F)c(Oc2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile?
The InChIKey is VLQVWWGTMJRRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2NO/c18-15-7-11(10-20)8-16(19)17(15)21-14-6-5-12-3-1-2-4-13(12)9-14/h1-9H.
What are the key properties of 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile?
3,5-difluoro-4-naphthalen-2-yloxybenzonitrile has a molecular weight of 281.26 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-naphthalen-2-yloxybenzonitrile is sourced from PubChem (CID 81287439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).