1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile

C12H11F2NO — CID 166159775

IUPAC1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CCOc2cccc(F)c2F)CC1
InChIInChI=1S/C12H11F2NO/c13-9-2-1-3-10(11(9)14)16-7-6-12(8-15)4-5-12/h1-3H,4-7H2
InChIKeyJDMAABVFBIYPDI-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile

1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile (PubChem CID 166159775) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile
PubChem CID166159775
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CCOc2cccc(F)c2F)CC1
InChIInChI=1S/C12H11F2NO/c13-9-2-1-3-10(11(9)14)16-7-6-12(8-15)4-5-12/h1-3H,4-7H2
InChIKeyJDMAABVFBIYPDI-UHFFFAOYSA-N
XLogP3.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile (CID 166159775) is 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile is N#CC1(CCOc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile?
The InChIKey is JDMAABVFBIYPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-9-2-1-3-10(11(9)14)16-7-6-12(8-15)4-5-12/h1-3H,4-7H2.
What are the key properties of 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile?
1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile has a molecular weight of 223.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenoxy)ethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 166159775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).