4-(difluoromethyl)-2,6-difluorobenzonitrile

C8H3F4N — CID 119018224

IUPAC4-(difluoromethyl)-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(C(F)F)cc1F
InChIInChI=1S/C8H3F4N/c9-6-1-4(8(11)12)2-7(10)5(6)3-13/h1-2,8H
InChIKeyODTKGYFXSRDBOY-UHFFFAOYSA-N
MW189.11 g/mol
LogP2.77
Rot. Bonds1

About 4-(difluoromethyl)-2,6-difluorobenzonitrile

4-(difluoromethyl)-2,6-difluorobenzonitrile (PubChem CID 119018224) has the molecular formula C8H3F4N and a molecular weight of 189.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-2,6-difluorobenzonitrile
PubChem CID119018224
Molecular FormulaC8H3F4N
Molecular Weight189.11 g/mol
Exact Mass189.02
IUPAC Name4-(difluoromethyl)-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(C(F)F)cc1F
InChIInChI=1S/C8H3F4N/c9-6-1-4(8(11)12)2-7(10)5(6)3-13/h1-2,8H
InChIKeyODTKGYFXSRDBOY-UHFFFAOYSA-N
XLogP2.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(dimethoxymethyl)-2,6-difluorobenzonitrile
CID 123326116
4-(difluoromethoxy)-2,6-difluorobenzonitrile
CID 53417928
2,6-difluoro-4-iodobenzonitrile
CID 19023068
3-(difluoromethyl)-5-hydroxybenzonitrile
CID 57443505
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
CID 148649310
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
4-(4-cyano-3,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878096
5-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095789
4-[1,2-dihydroxy-4-(methylamino)butyl]-2,6-difluorobenzonitrile
CID 171890638
3-(difluoromethyl)-5-methoxybenzonitrile
CID 68719258
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2,6-difluoro-4-(4-methylphenyl)benzonitrile
CID 20714839

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,6-difluorobenzonitrile?
The IUPAC name of 4-(difluoromethyl)-2,6-difluorobenzonitrile (CID 119018224) is 4-(difluoromethyl)-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-(difluoromethyl)-2,6-difluorobenzonitrile?
The canonical SMILES for 4-(difluoromethyl)-2,6-difluorobenzonitrile is N#Cc1c(F)cc(C(F)F)cc1F.
What is the InChIKey of 4-(difluoromethyl)-2,6-difluorobenzonitrile?
The InChIKey is ODTKGYFXSRDBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4N/c9-6-1-4(8(11)12)2-7(10)5(6)3-13/h1-2,8H.
What are the key properties of 4-(difluoromethyl)-2,6-difluorobenzonitrile?
4-(difluoromethyl)-2,6-difluorobenzonitrile has a molecular weight of 189.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,6-difluorobenzonitrile is sourced from PubChem (CID 119018224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).