3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile

C10H4F4N2O2 — CID 70355143

IUPAC3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(OC(F)F)ccc(OC(F)F)c1C#N
InChIInChI=1S/C10H4F4N2O2/c11-9(12)17-7-1-2-8(18-10(13)14)6(4-16)5(7)3-15/h1-2,9-10H
InChIKeyYKFYMXYZDQSYML-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.63
Rot. Bonds4

About 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile

3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile (PubChem CID 70355143) has the molecular formula C10H4F4N2O2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile
PubChem CID70355143
Molecular FormulaC10H4F4N2O2
Molecular Weight260.15 g/mol
Exact Mass260.02
IUPAC Name3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(OC(F)F)ccc(OC(F)F)c1C#N
InChIInChI=1S/C10H4F4N2O2/c11-9(12)17-7-1-2-8(18-10(13)14)6(4-16)5(7)3-15/h1-2,9-10H
InChIKeyYKFYMXYZDQSYML-UHFFFAOYSA-N
XLogP2.63
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile (CID 70355143) is 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile is N#Cc1c(OC(F)F)ccc(OC(F)F)c1C#N.
What is the InChIKey of 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile?
The InChIKey is YKFYMXYZDQSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O2/c11-9(12)17-7-1-2-8(18-10(13)14)6(4-16)5(7)3-15/h1-2,9-10H.
What are the key properties of 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile?
3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile has a molecular weight of 260.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(difluoromethoxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 70355143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).