2-[3-(difluoromethoxy)phenoxy]benzonitrile

C14H9F2NO2 — CID 23001279

IUPAC2-[3-(difluoromethoxy)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1cccc(OC(F)F)c1
InChIInChI=1S/C14H9F2NO2/c15-14(16)19-12-6-3-5-11(8-12)18-13-7-2-1-4-10(13)9-17/h1-8,14H
InChIKeyHISAMDSALNZMJM-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.95
Rot. Bonds4

About 2-[3-(difluoromethoxy)phenoxy]benzonitrile

2-[3-(difluoromethoxy)phenoxy]benzonitrile (PubChem CID 23001279) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenoxy]benzonitrile
PubChem CID23001279
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-[3-(difluoromethoxy)phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1cccc(OC(F)F)c1
InChIInChI=1S/C14H9F2NO2/c15-14(16)19-12-6-3-5-11(8-12)18-13-7-2-1-4-10(13)9-17/h1-8,14H
InChIKeyHISAMDSALNZMJM-UHFFFAOYSA-N
XLogP3.95
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenoxy)benzonitrile
CID 28602353
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
3-[3-(1,1,2,2-tetrafluoroethoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 139713966
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-(2-cyanophenoxy)benzonitrile
CID 13435570
3-(difluoromethoxy)benzonitrile
CID 2736988
6-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118813552
2-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
4-(2-cyanophenoxy)benzamide
CID 28825078
8-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118824832
3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
CID 19895093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenoxy]benzonitrile?
The IUPAC name of 2-[3-(difluoromethoxy)phenoxy]benzonitrile (CID 23001279) is 2-[3-(difluoromethoxy)phenoxy]benzonitrile.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenoxy]benzonitrile?
The canonical SMILES for 2-[3-(difluoromethoxy)phenoxy]benzonitrile is N#Cc1ccccc1Oc1cccc(OC(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenoxy]benzonitrile?
The InChIKey is HISAMDSALNZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-14(16)19-12-6-3-5-11(8-12)18-13-7-2-1-4-10(13)9-17/h1-8,14H.
What are the key properties of 2-[3-(difluoromethoxy)phenoxy]benzonitrile?
2-[3-(difluoromethoxy)phenoxy]benzonitrile has a molecular weight of 261.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenoxy]benzonitrile is sourced from PubChem (CID 23001279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).