4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile

C13H5F4NO — CID 81283851

IUPAC4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Oc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C13H5F4NO/c14-8-3-9(15)5-10(4-8)19-13-11(16)1-7(6-18)2-12(13)17/h1-5H
InChIKeyZNANFYCUIUGIAE-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.91
Rot. Bonds2

About 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile

4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile (PubChem CID 81283851) has the molecular formula C13H5F4NO and a molecular weight of 267.18 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
PubChem CID81283851
Molecular FormulaC13H5F4NO
Molecular Weight267.18 g/mol
Exact Mass267.03
IUPAC Name4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Oc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C13H5F4NO/c14-8-3-9(15)5-10(4-8)19-13-11(16)1-7(6-18)2-12(13)17/h1-5H
InChIKeyZNANFYCUIUGIAE-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
CID 81287439
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817820
4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
CID 106485841
3-[4-(bromomethyl)-2,6-difluorophenoxy]-5-methoxybenzonitrile
CID 107089455
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
CID 81283852

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile (CID 81283851) is 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile is N#Cc1cc(F)c(Oc2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile?
The InChIKey is ZNANFYCUIUGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F4NO/c14-8-3-9(15)5-10(4-8)19-13-11(16)1-7(6-18)2-12(13)17/h1-5H.
What are the key properties of 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile?
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile has a molecular weight of 267.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).