4-(2,5-difluorophenoxy)benzonitrile

C13H7F2NO — CID 63269334

IUPAC4-(2,5-difluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(F)ccc2F)cc1
InChIInChI=1S/C13H7F2NO/c14-10-3-6-12(15)13(7-10)17-11-4-1-9(8-16)2-5-11/h1-7H
InChIKeyVBQLHFGPUKXJPD-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.63
Rot. Bonds2

About 4-(2,5-difluorophenoxy)benzonitrile

4-(2,5-difluorophenoxy)benzonitrile (PubChem CID 63269334) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)benzonitrile.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)benzonitrile
PubChem CID63269334
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name4-(2,5-difluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(F)ccc2F)cc1
InChIInChI=1S/C13H7F2NO/c14-10-3-6-12(15)13(7-10)17-11-4-1-9(8-16)2-5-11/h1-7H
InChIKeyVBQLHFGPUKXJPD-UHFFFAOYSA-N
XLogP3.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
CID 114417635
5-cyano-2-(2,5-difluorophenoxy)benzenesulfonyl iodide
CID 89020213
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
4-(2,5-difluorophenoxy)benzenecarbothioamide
CID 63269381
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)benzonitrile?
The IUPAC name of 4-(2,5-difluorophenoxy)benzonitrile (CID 63269334) is 4-(2,5-difluorophenoxy)benzonitrile.
What is the SMILES notation for 4-(2,5-difluorophenoxy)benzonitrile?
The canonical SMILES for 4-(2,5-difluorophenoxy)benzonitrile is N#Cc1ccc(Oc2cc(F)ccc2F)cc1.
What is the InChIKey of 4-(2,5-difluorophenoxy)benzonitrile?
The InChIKey is VBQLHFGPUKXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-10-3-6-12(15)13(7-10)17-11-4-1-9(8-16)2-5-11/h1-7H.
What are the key properties of 4-(2,5-difluorophenoxy)benzonitrile?
4-(2,5-difluorophenoxy)benzonitrile has a molecular weight of 231.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)benzonitrile is sourced from PubChem (CID 63269334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).