3-(2,6-difluorophenoxy)butanenitrile

C10H9F2NO — CID 170365929

IUPAC3-(2,6-difluorophenoxy)butanenitrile
SMILESCC(CC#N)Oc1c(F)cccc1F
InChIInChI=1S/C10H9F2NO/c1-7(5-6-13)14-10-8(11)3-2-4-9(10)12/h2-4,7H,5H2,1H3
InChIKeyIMGADQAZRXDGEJ-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.65
Rot. Bonds3

About 3-(2,6-difluorophenoxy)butanenitrile

3-(2,6-difluorophenoxy)butanenitrile (PubChem CID 170365929) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(2,6-difluorophenoxy)butanenitrile.

Molecular Properties

Compound Name3-(2,6-difluorophenoxy)butanenitrile
PubChem CID170365929
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name3-(2,6-difluorophenoxy)butanenitrile
SMILESCC(CC#N)Oc1c(F)cccc1F
InChIInChI=1S/C10H9F2NO/c1-7(5-6-13)14-10-8(11)3-2-4-9(10)12/h2-4,7H,5H2,1H3
InChIKeyIMGADQAZRXDGEJ-UHFFFAOYSA-N
XLogP2.65
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenoxy)butanenitrile?
The IUPAC name of 3-(2,6-difluorophenoxy)butanenitrile (CID 170365929) is 3-(2,6-difluorophenoxy)butanenitrile.
What is the SMILES notation for 3-(2,6-difluorophenoxy)butanenitrile?
The canonical SMILES for 3-(2,6-difluorophenoxy)butanenitrile is CC(CC#N)Oc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenoxy)butanenitrile?
The InChIKey is IMGADQAZRXDGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-7(5-6-13)14-10-8(11)3-2-4-9(10)12/h2-4,7H,5H2,1H3.
What are the key properties of 3-(2,6-difluorophenoxy)butanenitrile?
3-(2,6-difluorophenoxy)butanenitrile has a molecular weight of 197.18 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenoxy)butanenitrile is sourced from PubChem (CID 170365929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).