2,4-difluoro-N,3-dimethylaniline

C8H9F2N — CID 134441747

IUPAC2,4-difluoro-N,3-dimethylaniline
SMILESCNc1ccc(F)c(C)c1F
InChIInChI=1S/C8H9F2N/c1-5-6(9)3-4-7(11-2)8(5)10/h3-4,11H,1-2H3
InChIKeyBPPUKWLERXSZMJ-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.31
Rot. Bonds1

About 2,4-difluoro-N,3-dimethylaniline

2,4-difluoro-N,3-dimethylaniline (PubChem CID 134441747) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 2,4-difluoro-N,3-dimethylaniline.

Molecular Properties

Compound Name2,4-difluoro-N,3-dimethylaniline
PubChem CID134441747
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name2,4-difluoro-N,3-dimethylaniline
SMILESCNc1ccc(F)c(C)c1F
InChIInChI=1S/C8H9F2N/c1-5-6(9)3-4-7(11-2)8(5)10/h3-4,11H,1-2H3
InChIKeyBPPUKWLERXSZMJ-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N,2,3-trimethylaniline
CID 155403467
ethane;2,3,4-trifluoro-N-methylaniline
CID 157043663
N-(2,4-difluoro-3-methylphenyl)methanesulfinamide;ethane
CID 163229300
3,4-dichloro-2-fluoro-N-methylaniline
CID 66609127
2-fluoro-N,3-dimethylaniline
CID 50998713
2,3-difluoro-N-methylaniline
CID 50998712
4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
2,4-difluoro-N-(3-fluoro-4-methylphenyl)sulfanyl-3-methylaniline;ethane
CID 156833126
[3-fluoro-2-methyl-6-(methylamino)phenyl] formate;propane
CID 143450651
4-fluoro-N-methylnaphthalen-1-amine
CID 67709157
2-(2,4-difluoro-3-methylphenyl)propan-2-amine
CID 83410035
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N,3-dimethylaniline?
The IUPAC name of 2,4-difluoro-N,3-dimethylaniline (CID 134441747) is 2,4-difluoro-N,3-dimethylaniline.
What is the SMILES notation for 2,4-difluoro-N,3-dimethylaniline?
The canonical SMILES for 2,4-difluoro-N,3-dimethylaniline is CNc1ccc(F)c(C)c1F.
What is the InChIKey of 2,4-difluoro-N,3-dimethylaniline?
The InChIKey is BPPUKWLERXSZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-5-6(9)3-4-7(11-2)8(5)10/h3-4,11H,1-2H3.
What are the key properties of 2,4-difluoro-N,3-dimethylaniline?
2,4-difluoro-N,3-dimethylaniline has a molecular weight of 157.16 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N,3-dimethylaniline is sourced from PubChem (CID 134441747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).