2,4-difluoro-5-(trifluoromethyl)benzonitrile

C8H2F5N — CID 71067450

IUPAC2,4-difluoro-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)c(F)cc1F
InChIInChI=1S/C8H2F5N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H
InChIKeySUNCYHLMIDQZRY-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.86
Rot. Bonds

About 2,4-difluoro-5-(trifluoromethyl)benzonitrile

2,4-difluoro-5-(trifluoromethyl)benzonitrile (PubChem CID 71067450) has the molecular formula C8H2F5N and a molecular weight of 207.10 g/mol. Its IUPAC name is 2,4-difluoro-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2,4-difluoro-5-(trifluoromethyl)benzonitrile
PubChem CID71067450
Molecular FormulaC8H2F5N
Molecular Weight207.10 g/mol
Exact Mass207.01
IUPAC Name2,4-difluoro-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)c(F)cc1F
InChIInChI=1S/C8H2F5N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H
InChIKeySUNCYHLMIDQZRY-UHFFFAOYSA-N
XLogP2.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-difluoro-5-(trifluoromethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-fluoro-4-(trifluoromethyl)benzonitrile
CID 59320654
5-chloro-2-fluoro-4-(trifluoromethyl)benzonitrile
CID 130779292
2-(cyanomethyl)-5-fluoro-4-(trifluoromethyl)benzonitrile
CID 169121731
3-(5-cyano-2,4-difluorophenyl)-3-methylbutanoic acid
CID 117350066
2-fluoro-5-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylbenzonitrile
CID 165176010
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-difluorobenzonitrile
CID 142414168
4-bromo-2,5-bis(trifluoromethyl)benzonitrile
CID 119007564
3-(cyanomethyl)-2,4-difluoro-5-(trifluoromethyl)benzonitrile
CID 162523513
5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
4-(difluoromethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 119011408
4,5-dibromo-2-fluorobenzonitrile
CID 118846547
4-(hydroxymethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 118997715

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2,4-difluoro-5-(trifluoromethyl)benzonitrile (CID 71067450) is 2,4-difluoro-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2,4-difluoro-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2,4-difluoro-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(trifluoromethyl)benzonitrile?
The InChIKey is SUNCYHLMIDQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5N/c9-6-2-7(10)5(8(11,12)13)1-4(6)3-14/h1-2H.
What are the key properties of 2,4-difluoro-5-(trifluoromethyl)benzonitrile?
2,4-difluoro-5-(trifluoromethyl)benzonitrile has a molecular weight of 207.10 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 71067450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).