2,4-dichloro-3-(difluoromethoxy)benzonitrile

C8H3Cl2F2NO — CID 119009629

IUPAC2,4-dichloro-3-(difluoromethoxy)benzonitrile
SMILESN#Cc1ccc(Cl)c(OC(F)F)c1Cl
InChIInChI=1S/C8H3Cl2F2NO/c9-5-2-1-4(3-13)6(10)7(5)14-8(11)12/h1-2,8H
InChIKeyWSBIAZJJZWJONP-UHFFFAOYSA-N
MW238.02 g/mol
LogP3.47
Rot. Bonds2

About 2,4-dichloro-3-(difluoromethoxy)benzonitrile

2,4-dichloro-3-(difluoromethoxy)benzonitrile (PubChem CID 119009629) has the molecular formula C8H3Cl2F2NO and a molecular weight of 238.02 g/mol. Its IUPAC name is 2,4-dichloro-3-(difluoromethoxy)benzonitrile.

Molecular Properties

Compound Name2,4-dichloro-3-(difluoromethoxy)benzonitrile
PubChem CID119009629
Molecular FormulaC8H3Cl2F2NO
Molecular Weight238.02 g/mol
Exact Mass236.96
IUPAC Name2,4-dichloro-3-(difluoromethoxy)benzonitrile
SMILESN#Cc1ccc(Cl)c(OC(F)F)c1Cl
InChIInChI=1S/C8H3Cl2F2NO/c9-5-2-1-4(3-13)6(10)7(5)14-8(11)12/h1-2,8H
InChIKeyWSBIAZJJZWJONP-UHFFFAOYSA-N
XLogP3.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.02
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-2-chloro-4-(difluoromethoxy)benzonitrile
CID 171001218
2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile
CID 167634720
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
CID 130775319
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
2-amino-4-bromo-3-(difluoromethoxy)benzonitrile
CID 171013764
4-bromo-2-chloro-3-methoxybenzonitrile
CID 130064387
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
CID 166584162
2,4-dichloro-3-propan-2-ylbenzonitrile
CID 146551409
2-chloro-4-(difluoromethoxy)-5-fluorobenzonitrile
CID 171002990
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(difluoromethoxy)benzonitrile?
The IUPAC name of 2,4-dichloro-3-(difluoromethoxy)benzonitrile (CID 119009629) is 2,4-dichloro-3-(difluoromethoxy)benzonitrile.
What is the SMILES notation for 2,4-dichloro-3-(difluoromethoxy)benzonitrile?
The canonical SMILES for 2,4-dichloro-3-(difluoromethoxy)benzonitrile is N#Cc1ccc(Cl)c(OC(F)F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(difluoromethoxy)benzonitrile?
The InChIKey is WSBIAZJJZWJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F2NO/c9-5-2-1-4(3-13)6(10)7(5)14-8(11)12/h1-2,8H.
What are the key properties of 2,4-dichloro-3-(difluoromethoxy)benzonitrile?
2,4-dichloro-3-(difluoromethoxy)benzonitrile has a molecular weight of 238.02 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(difluoromethoxy)benzonitrile is sourced from PubChem (CID 119009629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).