2-(2,5-dichlorophenoxy)acetonitrile

C8H5Cl2NO — CID 3361196

IUPAC2-(2,5-dichlorophenoxy)acetonitrile
SMILESN#CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H5Cl2NO/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5H,4H2
InChIKeyKAVDBXFGOAPKHB-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.90
Rot. Bonds2

About 2-(2,5-dichlorophenoxy)acetonitrile

2-(2,5-dichlorophenoxy)acetonitrile (PubChem CID 3361196) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)acetonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)acetonitrile
PubChem CID3361196
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2-(2,5-dichlorophenoxy)acetonitrile
SMILESN#CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H5Cl2NO/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5H,4H2
InChIKeyKAVDBXFGOAPKHB-UHFFFAOYSA-N
XLogP2.90
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenoxy)acetonitrile
CID 91656530
2-(5-chloro-2-cyclopropylphenoxy)acetonitrile
CID 54509277
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
CID 60907852
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine
CID 27241388
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
CID 7460356
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)acetonitrile?
The IUPAC name of 2-(2,5-dichlorophenoxy)acetonitrile (CID 3361196) is 2-(2,5-dichlorophenoxy)acetonitrile.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)acetonitrile?
The canonical SMILES for 2-(2,5-dichlorophenoxy)acetonitrile is N#CCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)acetonitrile?
The InChIKey is KAVDBXFGOAPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5H,4H2.
What are the key properties of 2-(2,5-dichlorophenoxy)acetonitrile?
2-(2,5-dichlorophenoxy)acetonitrile has a molecular weight of 202.04 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)acetonitrile is sourced from PubChem (CID 3361196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).