2-(difluoromethoxy)-4,6-dimethylbenzonitrile

C10H9F2NO — CID 123792451

IUPAC2-(difluoromethoxy)-4,6-dimethylbenzonitrile
SMILESCc1cc(C)c(C#N)c(OC(F)F)c1
InChIInChI=1S/C10H9F2NO/c1-6-3-7(2)8(5-13)9(4-6)14-10(11)12/h3-4,10H,1-2H3
InChIKeyTVKGOEGOFZXWBE-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.78
Rot. Bonds2

About 2-(difluoromethoxy)-4,6-dimethylbenzonitrile

2-(difluoromethoxy)-4,6-dimethylbenzonitrile (PubChem CID 123792451) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4,6-dimethylbenzonitrile.

Molecular Properties

Compound Name2-(difluoromethoxy)-4,6-dimethylbenzonitrile
PubChem CID123792451
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(difluoromethoxy)-4,6-dimethylbenzonitrile
SMILESCc1cc(C)c(C#N)c(OC(F)F)c1
InChIInChI=1S/C10H9F2NO/c1-6-3-7(2)8(5-13)9(4-6)14-10(11)12/h3-4,10H,1-2H3
InChIKeyTVKGOEGOFZXWBE-UHFFFAOYSA-N
XLogP2.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4,6-dimethylbenzonitrile?
The IUPAC name of 2-(difluoromethoxy)-4,6-dimethylbenzonitrile (CID 123792451) is 2-(difluoromethoxy)-4,6-dimethylbenzonitrile.
What is the SMILES notation for 2-(difluoromethoxy)-4,6-dimethylbenzonitrile?
The canonical SMILES for 2-(difluoromethoxy)-4,6-dimethylbenzonitrile is Cc1cc(C)c(C#N)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4,6-dimethylbenzonitrile?
The InChIKey is TVKGOEGOFZXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6-3-7(2)8(5-13)9(4-6)14-10(11)12/h3-4,10H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-4,6-dimethylbenzonitrile?
2-(difluoromethoxy)-4,6-dimethylbenzonitrile has a molecular weight of 197.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4,6-dimethylbenzonitrile is sourced from PubChem (CID 123792451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).