2-(3,5-dichlorophenoxy)acetonitrile

C8H5Cl2NO — CID 517810

IUPAC2-(3,5-dichlorophenoxy)acetonitrile
SMILESN#CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2
InChIKeyPNROREDTZJCOHF-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.90
Rot. Bonds2

About 2-(3,5-dichlorophenoxy)acetonitrile

2-(3,5-dichlorophenoxy)acetonitrile (PubChem CID 517810) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)acetonitrile
PubChem CID517810
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2-(3,5-dichlorophenoxy)acetonitrile
SMILESN#CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2
InChIKeyPNROREDTZJCOHF-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)acetonitrile?
The IUPAC name of 2-(3,5-dichlorophenoxy)acetonitrile (CID 517810) is 2-(3,5-dichlorophenoxy)acetonitrile.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)acetonitrile?
The canonical SMILES for 2-(3,5-dichlorophenoxy)acetonitrile is N#CCOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)acetonitrile?
The InChIKey is PNROREDTZJCOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2.
What are the key properties of 2-(3,5-dichlorophenoxy)acetonitrile?
2-(3,5-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-(3,5-dichlorophenoxy)acetonitrile is sourced from PubChem (CID 517810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).